SimRNA (c) 2009-2024 Genesilico, ver. 3.33
Replica Exchange Monte Carlo Method is SWITCHED ON
10 replicas were ordered
.reading parameteres
setting random seed = 1
initiating replica nr: 1
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio1-4dff34bd/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 175 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 175 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: 880
n_atoms_counter: 880
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 175.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio1-4dff34bd/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 175 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 175 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: 880
n_atoms_counter: 880
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 175.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio1-4dff34bd/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 175 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 175 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: 880
n_atoms_counter: 880
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 175.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio1-4dff34bd/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 175 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 175 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: 880
n_atoms_counter: 880
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 175.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio1-4dff34bd/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 175 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 175 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: 880
n_atoms_counter: 880
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 175.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio1-4dff34bd/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 175 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 175 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: 880
n_atoms_counter: 880
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 175.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio1-4dff34bd/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 175 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 175 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: 880
n_atoms_counter: 880
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 175.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio1-4dff34bd/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 175 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 175 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: 880
n_atoms_counter: 880
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 175.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio1-4dff34bd/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 175 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 175 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: 880
n_atoms_counter: 880
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 175.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio1-4dff34bd/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 175 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 175 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: 880
n_atoms_counter: 880
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 175.000000 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: -1248.041460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.041460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.041460 (E_RNA)
where:
Base-Base interactions energy: -765.955
where: short stacking energy: -379.372
Base-Backbone interact. energy: 2.188
local terms energy: -484.273932
where:
bonds (distance) C4'-P energy: -113.776
bonds (distance) P-C4' energy: -117.349
flat angles C4'-P-C4' energy: -108.435
flat angles P-C4'-P energy: -34.428
tors. eta vs tors. theta energy: -110.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -1248.041460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.041460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.041460 (E_RNA)
where:
Base-Base interactions energy: -765.955
where: short stacking energy: -379.372
Base-Backbone interact. energy: 2.188
local terms energy: -484.273932
where:
bonds (distance) C4'-P energy: -113.776
bonds (distance) P-C4' energy: -117.349
flat angles C4'-P-C4' energy: -108.435
flat angles P-C4'-P energy: -34.428
tors. eta vs tors. theta energy: -110.287
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: 1
Temperature: 1.000000
Total energy: -1248.041460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.041460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.041460 (E_RNA)
where:
Base-Base interactions energy: -765.955
where: short stacking energy: -379.372
Base-Backbone interact. energy: 2.188
local terms energy: -484.273932
where:
bonds (distance) C4'-P energy: -113.776
bonds (distance) P-C4' energy: -117.349
flat angles C4'-P-C4' energy: -108.435
flat angles P-C4'-P energy: -34.428
tors. eta vs tors. theta energy: -110.287
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -1248.041460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.041460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.041460 (E_RNA)
where:
Base-Base interactions energy: -765.955
where: short stacking energy: -379.372
Base-Backbone interact. energy: 2.188
local terms energy: -484.273932
where:
bonds (distance) C4'-P energy: -113.776
bonds (distance) P-C4' energy: -117.349
flat angles C4'-P-C4' energy: -108.435
flat angles P-C4'-P energy: -34.428
tors. eta vs tors. theta energy: -110.287
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -1248.041460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.041460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.041460 (E_RNA)
where:
Base-Base interactions energy: -765.955
where: short stacking energy: -379.372
Base-Backbone interact. energy: 2.188
local terms energy: -484.273932
where:
bonds (distance) C4'-P energy: -113.776
bonds (distance) P-C4' energy: -117.349
flat angles C4'-P-C4' energy: -108.435
flat angles P-C4'-P energy: -34.428
tors. eta vs tors. theta energy: -110.287
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -1248.041460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.041460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.041460 (E_RNA)
where:
Base-Base interactions energy: -765.955
where: short stacking energy: -379.372
Base-Backbone interact. energy: 2.188
local terms energy: -484.273932
where:
bonds (distance) C4'-P energy: -113.776
bonds (distance) P-C4' energy: -117.349
flat angles C4'-P-C4' energy: -108.435
flat angles P-C4'-P energy: -34.428
tors. eta vs tors. theta energy: -110.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -1248.041460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.041460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.041460 (E_RNA)
where:
Base-Base interactions energy: -765.955
where: short stacking energy: -379.372
Base-Backbone interact. energy: 2.188
local terms energy: -484.273932
where:
bonds (distance) C4'-P energy: -113.776
bonds (distance) P-C4' energy: -117.349
flat angles C4'-P-C4' energy: -108.435
flat angles P-C4'-P energy: -34.428
tors. eta vs tors. theta energy: -110.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -1248.041460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.041460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.041460 (E_RNA)
where:
Base-Base interactions energy: -765.955
where: short stacking energy: -379.372
Base-Backbone interact. energy: 2.188
local terms energy: -484.273932
where:
bonds (distance) C4'-P energy: -113.776
bonds (distance) P-C4' energy: -117.349
flat angles C4'-P-C4' energy: -108.435
flat angles P-C4'-P energy: -34.428
tors. eta vs tors. theta energy: -110.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -1248.041460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.041460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.041460 (E_RNA)
where:
Base-Base interactions energy: -765.955
where: short stacking energy: -379.372
Base-Backbone interact. energy: 2.188
local terms energy: -484.273932
where:
bonds (distance) C4'-P energy: -113.776
bonds (distance) P-C4' energy: -117.349
flat angles C4'-P-C4' energy: -108.435
flat angles P-C4'-P energy: -34.428
tors. eta vs tors. theta energy: -110.287
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: 1
Temperature: 1.350000
Total energy: -1248.041460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.041460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.041460 (E_RNA)
where:
Base-Base interactions energy: -765.955
where: short stacking energy: -379.372
Base-Backbone interact. energy: 2.188
local terms energy: -484.273932
where:
bonds (distance) C4'-P energy: -113.776
bonds (distance) P-C4' energy: -117.349
flat angles C4'-P-C4' energy: -108.435
flat angles P-C4'-P energy: -34.428
tors. eta vs tors. theta energy: -110.287
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1515.882496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.882496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.882496 (E_RNA)
where:
Base-Base interactions energy: -994.604
where: short stacking energy: -459.336
Base-Backbone interact. energy: -3.672
local terms energy: -517.605534
where:
bonds (distance) C4'-P energy: -110.465
bonds (distance) P-C4' energy: -102.057
flat angles C4'-P-C4' energy: -118.146
flat angles P-C4'-P energy: -77.322
tors. eta vs tors. theta energy: -109.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -1539.139679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.139679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.139679 (E_RNA)
where:
Base-Base interactions energy: -995.803
where: short stacking energy: -500.309
Base-Backbone interact. energy: -3.412
local terms energy: -539.924505
where:
bonds (distance) C4'-P energy: -110.795
bonds (distance) P-C4' energy: -102.898
flat angles C4'-P-C4' energy: -113.724
flat angles P-C4'-P energy: -83.547
tors. eta vs tors. theta energy: -128.961
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -1414.151837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.151837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.151837 (E_RNA)
where:
Base-Base interactions energy: -909.676
where: short stacking energy: -424.905
Base-Backbone interact. energy: -3.823
local terms energy: -500.652026
where:
bonds (distance) C4'-P energy: -100.602
bonds (distance) P-C4' energy: -91.598
flat angles C4'-P-C4' energy: -112.409
flat angles P-C4'-P energy: -82.804
tors. eta vs tors. theta energy: -113.239
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -1324.880473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.880473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.880473 (E_RNA)
where:
Base-Base interactions energy: -855.919
where: short stacking energy: -439.219
Base-Backbone interact. energy: -1.444
local terms energy: -467.517119
where:
bonds (distance) C4'-P energy: -77.448
bonds (distance) P-C4' energy: -96.635
flat angles C4'-P-C4' energy: -99.505
flat angles P-C4'-P energy: -77.850
tors. eta vs tors. theta energy: -116.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -1315.251771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.251771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.251771 (E_RNA)
where:
Base-Base interactions energy: -857.785
where: short stacking energy: -385.763
Base-Backbone interact. energy: -3.291
local terms energy: -454.175511
where:
bonds (distance) C4'-P energy: -85.535
bonds (distance) P-C4' energy: -105.871
flat angles C4'-P-C4' energy: -99.733
flat angles P-C4'-P energy: -67.991
tors. eta vs tors. theta energy: -95.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -1267.683278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.683278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.683278 (E_RNA)
where:
Base-Base interactions energy: -815.427
where: short stacking energy: -378.197
Base-Backbone interact. energy: -1.830
local terms energy: -450.426898
where:
bonds (distance) C4'-P energy: -89.312
bonds (distance) P-C4' energy: -102.491
flat angles C4'-P-C4' energy: -100.258
flat angles P-C4'-P energy: -74.785
tors. eta vs tors. theta energy: -83.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -1257.558301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.558301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.558301 (E_RNA)
where:
Base-Base interactions energy: -768.450
where: short stacking energy: -382.364
Base-Backbone interact. energy: -0.650
local terms energy: -488.458388
where:
bonds (distance) C4'-P energy: -111.154
bonds (distance) P-C4' energy: -116.152
flat angles C4'-P-C4' energy: -110.313
flat angles P-C4'-P energy: -38.722
tors. eta vs tors. theta energy: -112.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -1282.148179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.148179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.148179 (E_RNA)
where:
Base-Base interactions energy: -772.990
where: short stacking energy: -381.004
Base-Backbone interact. energy: -2.351
local terms energy: -506.806962
where:
bonds (distance) C4'-P energy: -104.991
bonds (distance) P-C4' energy: -113.170
flat angles C4'-P-C4' energy: -117.020
flat angles P-C4'-P energy: -56.912
tors. eta vs tors. theta energy: -114.714
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -1257.624916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.624916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.624916 (E_RNA)
where:
Base-Base interactions energy: -767.940
where: short stacking energy: -380.690
Base-Backbone interact. energy: 1.956
local terms energy: -491.640493
where:
bonds (distance) C4'-P energy: -113.660
bonds (distance) P-C4' energy: -118.065
flat angles C4'-P-C4' energy: -109.136
flat angles P-C4'-P energy: -37.308
tors. eta vs tors. theta energy: -113.471
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: 2
Temperature: 1.350000
Total energy: -1260.351945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.351945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.351945 (E_RNA)
where:
Base-Base interactions energy: -773.104
where: short stacking energy: -387.556
Base-Backbone interact. energy: -1.883
local terms energy: -485.365619
where:
bonds (distance) C4'-P energy: -112.368
bonds (distance) P-C4' energy: -116.202
flat angles C4'-P-C4' energy: -112.809
flat angles P-C4'-P energy: -34.294
tors. eta vs tors. theta energy: -109.693
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -1565.837953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.837953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.837953 (E_RNA)
where:
Base-Base interactions energy: -1038.517
where: short stacking energy: -467.935
Base-Backbone interact. energy: -3.832
local terms energy: -523.489219
where:
bonds (distance) C4'-P energy: -96.871
bonds (distance) P-C4' energy: -114.390
flat angles C4'-P-C4' energy: -112.039
flat angles P-C4'-P energy: -68.349
tors. eta vs tors. theta energy: -131.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -1539.628856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.628856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.628856 (E_RNA)
where:
Base-Base interactions energy: -1008.798
where: short stacking energy: -492.277
Base-Backbone interact. energy: -1.174
local terms energy: -529.656778
where:
bonds (distance) C4'-P energy: -79.935
bonds (distance) P-C4' energy: -108.820
flat angles C4'-P-C4' energy: -125.872
flat angles P-C4'-P energy: -72.525
tors. eta vs tors. theta energy: -142.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -1438.472713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.472713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.472713 (E_RNA)
where:
Base-Base interactions energy: -926.950
where: short stacking energy: -423.618
Base-Backbone interact. energy: 0.144
local terms energy: -511.667155
where:
bonds (distance) C4'-P energy: -123.352
bonds (distance) P-C4' energy: -99.502
flat angles C4'-P-C4' energy: -109.597
flat angles P-C4'-P energy: -66.928
tors. eta vs tors. theta energy: -112.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -1361.907288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.907288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.907288 (E_RNA)
where:
Base-Base interactions energy: -883.795
where: short stacking energy: -407.462
Base-Backbone interact. energy: -1.211
local terms energy: -476.901360
where:
bonds (distance) C4'-P energy: -117.959
bonds (distance) P-C4' energy: -91.418
flat angles C4'-P-C4' energy: -102.973
flat angles P-C4'-P energy: -71.332
tors. eta vs tors. theta energy: -93.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -1364.855781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.855781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.855781 (E_RNA)
where:
Base-Base interactions energy: -883.502
where: short stacking energy: -420.720
Base-Backbone interact. energy: 0.820
local terms energy: -482.173907
where:
bonds (distance) C4'-P energy: -102.692
bonds (distance) P-C4' energy: -97.796
flat angles C4'-P-C4' energy: -107.470
flat angles P-C4'-P energy: -73.297
tors. eta vs tors. theta energy: -100.918
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: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -1274.132507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.132507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.132507 (E_RNA)
where:
Base-Base interactions energy: -819.850
where: short stacking energy: -379.795
Base-Backbone interact. energy: 0.854
local terms energy: -455.136775
where:
bonds (distance) C4'-P energy: -100.275
bonds (distance) P-C4' energy: -93.023
flat angles C4'-P-C4' energy: -104.160
flat angles P-C4'-P energy: -63.710
tors. eta vs tors. theta energy: -93.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -1128.375019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.375019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.375019 (E_RNA)
where:
Base-Base interactions energy: -746.366
where: short stacking energy: -319.923
Base-Backbone interact. energy: -2.374
local terms energy: -379.635414
where:
bonds (distance) C4'-P energy: -87.464
bonds (distance) P-C4' energy: -84.352
flat angles C4'-P-C4' energy: -88.810
flat angles P-C4'-P energy: -64.362
tors. eta vs tors. theta energy: -54.647
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: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -1103.566582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.566582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.566582 (E_RNA)
where:
Base-Base interactions energy: -722.653
where: short stacking energy: -293.303
Base-Backbone interact. energy: 2.154
local terms energy: -383.067091
where:
bonds (distance) C4'-P energy: -94.678
bonds (distance) P-C4' energy: -89.995
flat angles C4'-P-C4' energy: -97.117
flat angles P-C4'-P energy: -43.735
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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -1081.076737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.076737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.076737 (E_RNA)
where:
Base-Base interactions energy: -706.319
where: short stacking energy: -293.635
Base-Backbone interact. energy: -2.329
local terms energy: -372.428971
where:
bonds (distance) C4'-P energy: -75.590
bonds (distance) P-C4' energy: -97.251
flat angles C4'-P-C4' energy: -88.065
flat angles P-C4'-P energy: -54.671
tors. eta vs tors. theta energy: -56.852
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: 3
Temperature: 1.350000
Total energy: -922.844033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.844033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.844033 (E_RNA)
where:
Base-Base interactions energy: -584.648
where: short stacking energy: -236.164
Base-Backbone interact. energy: -3.468
local terms energy: -334.727944
where:
bonds (distance) C4'-P energy: -76.930
bonds (distance) P-C4' energy: -97.624
flat angles C4'-P-C4' energy: -79.962
flat angles P-C4'-P energy: -45.558
tors. eta vs tors. theta energy: -34.654
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1576.907202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.907202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.907202 (E_RNA)
where:
Base-Base interactions energy: -1029.917
where: short stacking energy: -476.220
Base-Backbone interact. energy: -2.466
local terms energy: -544.524195
where:
bonds (distance) C4'-P energy: -118.116
bonds (distance) P-C4' energy: -114.068
flat angles C4'-P-C4' energy: -120.446
flat angles P-C4'-P energy: -70.625
tors. eta vs tors. theta energy: -121.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1547.037074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.037074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.037074 (E_RNA)
where:
Base-Base interactions energy: -984.699
where: short stacking energy: -474.622
Base-Backbone interact. energy: -4.255
local terms energy: -558.083134
where:
bonds (distance) C4'-P energy: -102.720
bonds (distance) P-C4' energy: -119.988
flat angles C4'-P-C4' energy: -125.316
flat angles P-C4'-P energy: -79.205
tors. eta vs tors. theta energy: -130.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1458.471163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.471163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.471163 (E_RNA)
where:
Base-Base interactions energy: -963.099
where: short stacking energy: -460.825
Base-Backbone interact. energy: 5.022
local terms energy: -500.394360
where:
bonds (distance) C4'-P energy: -95.804
bonds (distance) P-C4' energy: -110.628
flat angles C4'-P-C4' energy: -116.311
flat angles P-C4'-P energy: -62.826
tors. eta vs tors. theta energy: -114.825
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: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -1314.617842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.617842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.617842 (E_RNA)
where:
Base-Base interactions energy: -864.624
where: short stacking energy: -366.087
Base-Backbone interact. energy: -2.512
local terms energy: -447.481196
where:
bonds (distance) C4'-P energy: -100.463
bonds (distance) P-C4' energy: -101.280
flat angles C4'-P-C4' energy: -104.780
flat angles P-C4'-P energy: -50.694
tors. eta vs tors. theta energy: -90.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -1342.464942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.464942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.464942 (E_RNA)
where:
Base-Base interactions energy: -871.561
where: short stacking energy: -393.280
Base-Backbone interact. energy: -1.510
local terms energy: -469.394570
where:
bonds (distance) C4'-P energy: -98.763
bonds (distance) P-C4' energy: -88.823
flat angles C4'-P-C4' energy: -107.834
flat angles P-C4'-P energy: -73.967
tors. eta vs tors. theta energy: -100.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -1269.459173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.459173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.459173 (E_RNA)
where:
Base-Base interactions energy: -834.380
where: short stacking energy: -369.501
Base-Backbone interact. energy: -2.290
local terms energy: -432.789089
where:
bonds (distance) C4'-P energy: -98.062
bonds (distance) P-C4' energy: -102.429
flat angles C4'-P-C4' energy: -103.841
flat angles P-C4'-P energy: -48.911
tors. eta vs tors. theta energy: -79.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -1191.203282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.203282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.203282 (E_RNA)
where:
Base-Base interactions energy: -772.012
where: short stacking energy: -323.565
Base-Backbone interact. energy: 0.181
local terms energy: -419.372079
where:
bonds (distance) C4'-P energy: -112.070
bonds (distance) P-C4' energy: -81.737
flat angles C4'-P-C4' energy: -97.159
flat angles P-C4'-P energy: -60.466
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: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -1131.105156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.105156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.105156 (E_RNA)
where:
Base-Base interactions energy: -722.979
where: short stacking energy: -313.878
Base-Backbone interact. energy: 1.843
local terms energy: -409.968613
where:
bonds (distance) C4'-P energy: -93.967
bonds (distance) P-C4' energy: -97.961
flat angles C4'-P-C4' energy: -90.077
flat angles P-C4'-P energy: -58.153
tors. eta vs tors. theta energy: -69.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -1043.787640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.787640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.787640 (E_RNA)
where:
Base-Base interactions energy: -686.007
where: short stacking energy: -296.645
Base-Backbone interact. energy: 2.007
local terms energy: -359.788019
where:
bonds (distance) C4'-P energy: -81.659
bonds (distance) P-C4' energy: -87.526
flat angles C4'-P-C4' energy: -86.517
flat angles P-C4'-P energy: -61.126
tors. eta vs tors. theta energy: -42.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -891.115025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.115025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.115025 (E_RNA)
where:
Base-Base interactions energy: -558.871
where: short stacking energy: -233.877
Base-Backbone interact. energy: -0.747
local terms energy: -331.496823
where:
bonds (distance) C4'-P energy: -79.130
bonds (distance) P-C4' energy: -112.738
flat angles C4'-P-C4' energy: -66.237
flat angles P-C4'-P energy: -40.359
tors. eta vs tors. theta energy: -33.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1604.092910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.092910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.092910 (E_RNA)
where:
Base-Base interactions energy: -1075.132
where: short stacking energy: -500.444
Base-Backbone interact. energy: 3.197
local terms energy: -532.158871
where:
bonds (distance) C4'-P energy: -112.562
bonds (distance) P-C4' energy: -101.992
flat angles C4'-P-C4' energy: -116.113
flat angles P-C4'-P energy: -70.299
tors. eta vs tors. theta energy: -131.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1571.223929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.223929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.223929 (E_RNA)
where:
Base-Base interactions energy: -1024.013
where: short stacking energy: -492.931
Base-Backbone interact. energy: 0.731
local terms energy: -547.942321
where:
bonds (distance) C4'-P energy: -113.491
bonds (distance) P-C4' energy: -112.053
flat angles C4'-P-C4' energy: -111.782
flat angles P-C4'-P energy: -69.673
tors. eta vs tors. theta energy: -140.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1547.175019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.175019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.175019 (E_RNA)
where:
Base-Base interactions energy: -1021.820
where: short stacking energy: -498.268
Base-Backbone interact. energy: -1.793
local terms energy: -523.562235
where:
bonds (distance) C4'-P energy: -94.101
bonds (distance) P-C4' energy: -101.030
flat angles C4'-P-C4' energy: -110.931
flat angles P-C4'-P energy: -75.185
tors. eta vs tors. theta energy: -142.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -1365.483746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.483746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.483746 (E_RNA)
where:
Base-Base interactions energy: -887.191
where: short stacking energy: -419.086
Base-Backbone interact. energy: 0.979
local terms energy: -479.271527
where:
bonds (distance) C4'-P energy: -108.450
bonds (distance) P-C4' energy: -99.783
flat angles C4'-P-C4' energy: -91.138
flat angles P-C4'-P energy: -75.921
tors. eta vs tors. theta energy: -103.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -1337.203332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.203332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.203332 (E_RNA)
where:
Base-Base interactions energy: -889.301
where: short stacking energy: -405.887
Base-Backbone interact. energy: -1.783
local terms energy: -446.119541
where:
bonds (distance) C4'-P energy: -87.864
bonds (distance) P-C4' energy: -101.240
flat angles C4'-P-C4' energy: -102.354
flat angles P-C4'-P energy: -57.979
tors. eta vs tors. theta energy: -96.683
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: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -1237.695002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.695002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.695002 (E_RNA)
where:
Base-Base interactions energy: -798.398
where: short stacking energy: -361.388
Base-Backbone interact. energy: 1.030
local terms energy: -440.327470
where:
bonds (distance) C4'-P energy: -97.482
bonds (distance) P-C4' energy: -95.216
flat angles C4'-P-C4' energy: -98.656
flat angles P-C4'-P energy: -65.242
tors. eta vs tors. theta energy: -83.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -1198.637707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.637707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.637707 (E_RNA)
where:
Base-Base interactions energy: -771.086
where: short stacking energy: -322.169
Base-Backbone interact. energy: 3.515
local terms energy: -431.066537
where:
bonds (distance) C4'-P energy: -86.973
bonds (distance) P-C4' energy: -104.124
flat angles C4'-P-C4' energy: -103.501
flat angles P-C4'-P energy: -68.344
tors. eta vs tors. theta energy: -68.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -1097.860965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.860965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.860965 (E_RNA)
where:
Base-Base interactions energy: -722.569
where: short stacking energy: -314.104
Base-Backbone interact. energy: 0.069
local terms energy: -375.360503
where:
bonds (distance) C4'-P energy: -84.347
bonds (distance) P-C4' energy: -96.172
flat angles C4'-P-C4' energy: -88.854
flat angles P-C4'-P energy: -47.970
tors. eta vs tors. theta energy: -58.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -1102.917479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.917479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.917479 (E_RNA)
where:
Base-Base interactions energy: -734.507
where: short stacking energy: -298.130
Base-Backbone interact. energy: 0.226
local terms energy: -368.636709
where:
bonds (distance) C4'-P energy: -88.808
bonds (distance) P-C4' energy: -72.345
flat angles C4'-P-C4' energy: -96.975
flat angles P-C4'-P energy: -51.277
tors. eta vs tors. theta energy: -59.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -765.252977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.252977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.252977 (E_RNA)
where:
Base-Base interactions energy: -433.206
where: short stacking energy: -214.641
Base-Backbone interact. energy: 1.394
local terms energy: -333.441487
where:
bonds (distance) C4'-P energy: -80.589
bonds (distance) P-C4' energy: -107.136
flat angles C4'-P-C4' energy: -63.293
flat angles P-C4'-P energy: -47.435
tors. eta vs tors. theta energy: -34.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1626.667886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.667886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.667886 (E_RNA)
where:
Base-Base interactions energy: -1050.854
where: short stacking energy: -500.230
Base-Backbone interact. energy: -3.344
local terms energy: -572.469497
where:
bonds (distance) C4'-P energy: -113.334
bonds (distance) P-C4' energy: -103.724
flat angles C4'-P-C4' energy: -115.197
flat angles P-C4'-P energy: -99.842
tors. eta vs tors. theta energy: -140.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1552.246679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.246679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.246679 (E_RNA)
where:
Base-Base interactions energy: -1028.593
where: short stacking energy: -434.015
Base-Backbone interact. energy: -1.327
local terms energy: -522.326764
where:
bonds (distance) C4'-P energy: -101.918
bonds (distance) P-C4' energy: -117.997
flat angles C4'-P-C4' energy: -120.304
flat angles P-C4'-P energy: -69.000
tors. eta vs tors. theta energy: -113.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1514.538268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.538268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.538268 (E_RNA)
where:
Base-Base interactions energy: -1005.617
where: short stacking energy: -494.214
Base-Backbone interact. energy: -2.763
local terms energy: -506.158512
where:
bonds (distance) C4'-P energy: -88.576
bonds (distance) P-C4' energy: -104.224
flat angles C4'-P-C4' energy: -110.075
flat angles P-C4'-P energy: -69.537
tors. eta vs tors. theta energy: -133.747
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: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -1359.847321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.847321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.847321 (E_RNA)
where:
Base-Base interactions energy: -862.179
where: short stacking energy: -397.097
Base-Backbone interact. energy: -1.346
local terms energy: -496.322220
where:
bonds (distance) C4'-P energy: -104.397
bonds (distance) P-C4' energy: -98.649
flat angles C4'-P-C4' energy: -104.904
flat angles P-C4'-P energy: -84.570
tors. eta vs tors. theta energy: -103.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -1392.700685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.700685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.700685 (E_RNA)
where:
Base-Base interactions energy: -911.753
where: short stacking energy: -389.125
Base-Backbone interact. energy: -1.954
local terms energy: -478.994055
where:
bonds (distance) C4'-P energy: -111.821
bonds (distance) P-C4' energy: -108.829
flat angles C4'-P-C4' energy: -101.295
flat angles P-C4'-P energy: -56.177
tors. eta vs tors. theta energy: -100.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -1215.107153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.107153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.107153 (E_RNA)
where:
Base-Base interactions energy: -800.267
where: short stacking energy: -363.903
Base-Backbone interact. energy: -1.704
local terms energy: -413.136121
where:
bonds (distance) C4'-P energy: -84.417
bonds (distance) P-C4' energy: -87.261
flat angles C4'-P-C4' energy: -113.491
flat angles P-C4'-P energy: -55.160
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: 7, replica: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -1223.063332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.063332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.063332 (E_RNA)
where:
Base-Base interactions energy: -810.693
where: short stacking energy: -364.838
Base-Backbone interact. energy: -1.704
local terms energy: -410.666311
where:
bonds (distance) C4'-P energy: -91.592
bonds (distance) P-C4' energy: -87.001
flat angles C4'-P-C4' energy: -89.340
flat angles P-C4'-P energy: -61.087
tors. eta vs tors. theta energy: -81.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -1151.687785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.687785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.687785 (E_RNA)
where:
Base-Base interactions energy: -754.559
where: short stacking energy: -334.433
Base-Backbone interact. energy: -0.264
local terms energy: -396.864912
where:
bonds (distance) C4'-P energy: -83.242
bonds (distance) P-C4' energy: -86.664
flat angles C4'-P-C4' energy: -107.379
flat angles P-C4'-P energy: -51.946
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: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -1068.541848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.541848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.541848 (E_RNA)
where:
Base-Base interactions energy: -701.186
where: short stacking energy: -281.967
Base-Backbone interact. energy: -5.641
local terms energy: -361.715046
where:
bonds (distance) C4'-P energy: -85.653
bonds (distance) P-C4' energy: -69.531
flat angles C4'-P-C4' energy: -90.239
flat angles P-C4'-P energy: -70.426
tors. eta vs tors. theta energy: -45.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -739.153178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.153178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.153178 (E_RNA)
where:
Base-Base interactions energy: -420.799
where: short stacking energy: -192.404
Base-Backbone interact. energy: -1.725
local terms energy: -316.628932
where:
bonds (distance) C4'-P energy: -84.478
bonds (distance) P-C4' energy: -95.987
flat angles C4'-P-C4' energy: -84.261
flat angles P-C4'-P energy: -47.352
tors. eta vs tors. theta energy: -4.552
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: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1640.264884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.264884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.264884 (E_RNA)
where:
Base-Base interactions energy: -1087.038
where: short stacking energy: -497.541
Base-Backbone interact. energy: -3.703
local terms energy: -549.523881
where:
bonds (distance) C4'-P energy: -105.059
bonds (distance) P-C4' energy: -124.598
flat angles C4'-P-C4' energy: -120.502
flat angles P-C4'-P energy: -66.116
tors. eta vs tors. theta energy: -133.248
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: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1574.335274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.335274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.335274 (E_RNA)
where:
Base-Base interactions energy: -1046.392
where: short stacking energy: -477.638
Base-Backbone interact. energy: -3.070
local terms energy: -524.873061
where:
bonds (distance) C4'-P energy: -103.316
bonds (distance) P-C4' energy: -100.731
flat angles C4'-P-C4' energy: -118.969
flat angles P-C4'-P energy: -73.502
tors. eta vs tors. theta energy: -128.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1531.822698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.822698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.822698 (E_RNA)
where:
Base-Base interactions energy: -1016.610
where: short stacking energy: -462.028
Base-Backbone interact. energy: -1.054
local terms energy: -514.158174
where:
bonds (distance) C4'-P energy: -94.098
bonds (distance) P-C4' energy: -108.625
flat angles C4'-P-C4' energy: -119.510
flat angles P-C4'-P energy: -67.715
tors. eta vs tors. theta energy: -124.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1431.128730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.128730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.128730 (E_RNA)
where:
Base-Base interactions energy: -936.746
where: short stacking energy: -421.045
Base-Backbone interact. energy: -4.000
local terms energy: -490.382797
where:
bonds (distance) C4'-P energy: -98.899
bonds (distance) P-C4' energy: -100.108
flat angles C4'-P-C4' energy: -112.134
flat angles P-C4'-P energy: -73.346
tors. eta vs tors. theta energy: -105.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -1341.707322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.707322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.707322 (E_RNA)
where:
Base-Base interactions energy: -892.798
where: short stacking energy: -396.153
Base-Backbone interact. energy: -1.494
local terms energy: -447.415915
where:
bonds (distance) C4'-P energy: -92.434
bonds (distance) P-C4' energy: -90.316
flat angles C4'-P-C4' energy: -108.362
flat angles P-C4'-P energy: -60.461
tors. eta vs tors. theta energy: -95.843
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: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -1233.877089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.877089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.877089 (E_RNA)
where:
Base-Base interactions energy: -785.524
where: short stacking energy: -341.901
Base-Backbone interact. energy: 1.584
local terms energy: -449.937491
where:
bonds (distance) C4'-P energy: -98.262
bonds (distance) P-C4' energy: -102.762
flat angles C4'-P-C4' energy: -100.311
flat angles P-C4'-P energy: -66.871
tors. eta vs tors. theta energy: -81.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -1170.843093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.843093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.843093 (E_RNA)
where:
Base-Base interactions energy: -769.464
where: short stacking energy: -342.885
Base-Backbone interact. energy: -0.597
local terms energy: -400.781548
where:
bonds (distance) C4'-P energy: -85.763
bonds (distance) P-C4' energy: -99.750
flat angles C4'-P-C4' energy: -92.071
flat angles P-C4'-P energy: -50.573
tors. eta vs tors. theta energy: -72.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -1111.478667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.478667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.478667 (E_RNA)
where:
Base-Base interactions energy: -761.006
where: short stacking energy: -322.558
Base-Backbone interact. energy: 1.154
local terms energy: -351.626451
where:
bonds (distance) C4'-P energy: -78.822
bonds (distance) P-C4' energy: -83.462
flat angles C4'-P-C4' energy: -84.022
flat angles P-C4'-P energy: -44.957
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: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -1015.313988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.313988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.313988 (E_RNA)
where:
Base-Base interactions energy: -669.584
where: short stacking energy: -279.813
Base-Backbone interact. energy: -3.288
local terms energy: -342.441371
where:
bonds (distance) C4'-P energy: -84.964
bonds (distance) P-C4' energy: -77.088
flat angles C4'-P-C4' energy: -83.351
flat angles P-C4'-P energy: -47.766
tors. eta vs tors. theta energy: -49.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -646.605051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.605051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.605051 (E_RNA)
where:
Base-Base interactions energy: -331.210
where: short stacking energy: -181.732
Base-Backbone interact. energy: 7.755
local terms energy: -323.149355
where:
bonds (distance) C4'-P energy: -85.889
bonds (distance) P-C4' energy: -91.290
flat angles C4'-P-C4' energy: -81.624
flat angles P-C4'-P energy: -57.563
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1675.797256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.797256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.797256 (E_RNA)
where:
Base-Base interactions energy: -1112.962
where: short stacking energy: -531.073
Base-Backbone interact. energy: -4.256
local terms energy: -558.579388
where:
bonds (distance) C4'-P energy: -110.056
bonds (distance) P-C4' energy: -105.424
flat angles C4'-P-C4' energy: -120.629
flat angles P-C4'-P energy: -68.620
tors. eta vs tors. theta energy: -153.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1570.539330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.539330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.539330 (E_RNA)
where:
Base-Base interactions energy: -1029.344
where: short stacking energy: -454.514
Base-Backbone interact. energy: -1.796
local terms energy: -539.398817
where:
bonds (distance) C4'-P energy: -107.027
bonds (distance) P-C4' energy: -106.887
flat angles C4'-P-C4' energy: -123.287
flat angles P-C4'-P energy: -74.310
tors. eta vs tors. theta energy: -127.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1541.069161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.069161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.069161 (E_RNA)
where:
Base-Base interactions energy: -1011.275
where: short stacking energy: -446.541
Base-Backbone interact. energy: -3.783
local terms energy: -526.011222
where:
bonds (distance) C4'-P energy: -96.766
bonds (distance) P-C4' energy: -116.197
flat angles C4'-P-C4' energy: -112.490
flat angles P-C4'-P energy: -76.751
tors. eta vs tors. theta energy: -123.807
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: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1419.750673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.750673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.750673 (E_RNA)
where:
Base-Base interactions energy: -940.101
where: short stacking energy: -403.930
Base-Backbone interact. energy: -0.249
local terms energy: -479.400601
where:
bonds (distance) C4'-P energy: -100.896
bonds (distance) P-C4' energy: -84.264
flat angles C4'-P-C4' energy: -112.761
flat angles P-C4'-P energy: -79.332
tors. eta vs tors. theta energy: -102.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -1314.892176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.892176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.892176 (E_RNA)
where:
Base-Base interactions energy: -849.646
where: short stacking energy: -375.774
Base-Backbone interact. energy: 3.006
local terms energy: -468.252298
where:
bonds (distance) C4'-P energy: -105.037
bonds (distance) P-C4' energy: -107.911
flat angles C4'-P-C4' energy: -105.094
flat angles P-C4'-P energy: -63.732
tors. eta vs tors. theta energy: -86.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -1193.466943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.466943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.466943 (E_RNA)
where:
Base-Base interactions energy: -774.045
where: short stacking energy: -342.247
Base-Backbone interact. energy: 10.134
local terms energy: -429.556645
where:
bonds (distance) C4'-P energy: -97.313
bonds (distance) P-C4' energy: -92.041
flat angles C4'-P-C4' energy: -101.054
flat angles P-C4'-P energy: -72.594
tors. eta vs tors. theta energy: -66.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -1217.719196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.719196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.719196 (E_RNA)
where:
Base-Base interactions energy: -782.850
where: short stacking energy: -332.098
Base-Backbone interact. energy: 1.434
local terms energy: -436.303319
where:
bonds (distance) C4'-P energy: -92.603
bonds (distance) P-C4' energy: -107.104
flat angles C4'-P-C4' energy: -105.285
flat angles P-C4'-P energy: -57.771
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: 8, replica: 7
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -1122.074873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.074873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.074873 (E_RNA)
where:
Base-Base interactions energy: -736.920
where: short stacking energy: -329.639
Base-Backbone interact. energy: 0.458
local terms energy: -385.612563
where:
bonds (distance) C4'-P energy: -83.274
bonds (distance) P-C4' energy: -84.285
flat angles C4'-P-C4' energy: -82.812
flat angles P-C4'-P energy: -52.463
tors. eta vs tors. theta energy: -82.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -1037.631877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.631877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.631877 (E_RNA)
where:
Base-Base interactions energy: -655.779
where: short stacking energy: -311.518
Base-Backbone interact. energy: 1.775
local terms energy: -383.628045
where:
bonds (distance) C4'-P energy: -77.397
bonds (distance) P-C4' energy: -96.951
flat angles C4'-P-C4' energy: -98.907
flat angles P-C4'-P energy: -45.456
tors. eta vs tors. theta energy: -64.917
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: 8
Temperature: 1.350000
Total energy: -625.981513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.981513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.981513 (E_RNA)
where:
Base-Base interactions energy: -327.891
where: short stacking energy: -171.218
Base-Backbone interact. energy: -1.258
local terms energy: -296.832292
where:
bonds (distance) C4'-P energy: -89.468
bonds (distance) P-C4' energy: -93.323
flat angles C4'-P-C4' energy: -76.187
flat angles P-C4'-P energy: -37.687
tors. eta vs tors. theta energy: -0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1661.943211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.943211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.943211 (E_RNA)
where:
Base-Base interactions energy: -1083.109
where: short stacking energy: -505.356
Base-Backbone interact. energy: -5.959
local terms energy: -572.875442
where:
bonds (distance) C4'-P energy: -105.708
bonds (distance) P-C4' energy: -112.306
flat angles C4'-P-C4' energy: -119.527
flat angles P-C4'-P energy: -94.801
tors. eta vs tors. theta energy: -140.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1563.485857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.485857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.485857 (E_RNA)
where:
Base-Base interactions energy: -1035.822
where: short stacking energy: -478.471
Base-Backbone interact. energy: -2.553
local terms energy: -525.111215
where:
bonds (distance) C4'-P energy: -98.735
bonds (distance) P-C4' energy: -102.692
flat angles C4'-P-C4' energy: -119.689
flat angles P-C4'-P energy: -78.442
tors. eta vs tors. theta energy: -125.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1521.109643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.109643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.109643 (E_RNA)
where:
Base-Base interactions energy: -997.501
where: short stacking energy: -439.823
Base-Backbone interact. energy: -0.070
local terms energy: -523.538624
where:
bonds (distance) C4'-P energy: -106.309
bonds (distance) P-C4' energy: -100.289
flat angles C4'-P-C4' energy: -110.341
flat angles P-C4'-P energy: -83.363
tors. eta vs tors. theta energy: -123.236
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: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1440.020565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.020565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.020565 (E_RNA)
where:
Base-Base interactions energy: -939.790
where: short stacking energy: -428.094
Base-Backbone interact. energy: -5.584
local terms energy: -494.646865
where:
bonds (distance) C4'-P energy: -90.840
bonds (distance) P-C4' energy: -112.110
flat angles C4'-P-C4' energy: -116.632
flat angles P-C4'-P energy: -73.709
tors. eta vs tors. theta energy: -101.356
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: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -1295.828749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.828749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.828749 (E_RNA)
where:
Base-Base interactions energy: -828.047
where: short stacking energy: -384.954
Base-Backbone interact. energy: -1.200
local terms energy: -466.581741
where:
bonds (distance) C4'-P energy: -101.572
bonds (distance) P-C4' energy: -100.070
flat angles C4'-P-C4' energy: -107.225
flat angles P-C4'-P energy: -54.308
tors. eta vs tors. theta energy: -103.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -1244.813275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.813275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.813275 (E_RNA)
where:
Base-Base interactions energy: -863.119
where: short stacking energy: -371.054
Base-Backbone interact. energy: -0.242
local terms energy: -381.452230
where:
bonds (distance) C4'-P energy: -69.233
bonds (distance) P-C4' energy: -89.272
flat angles C4'-P-C4' energy: -95.257
flat angles P-C4'-P energy: -50.460
tors. eta vs tors. theta energy: -77.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -1160.917748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.917748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.917748 (E_RNA)
where:
Base-Base interactions energy: -750.673
where: short stacking energy: -336.806
Base-Backbone interact. energy: -1.405
local terms energy: -408.839787
where:
bonds (distance) C4'-P energy: -90.124
bonds (distance) P-C4' energy: -97.115
flat angles C4'-P-C4' energy: -79.632
flat angles P-C4'-P energy: -62.832
tors. eta vs tors. theta energy: -79.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -1085.853544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.853544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.853544 (E_RNA)
where:
Base-Base interactions energy: -701.100
where: short stacking energy: -307.351
Base-Backbone interact. energy: 6.619
local terms energy: -391.372186
where:
bonds (distance) C4'-P energy: -98.871
bonds (distance) P-C4' energy: -87.316
flat angles C4'-P-C4' energy: -97.549
flat angles P-C4'-P energy: -43.333
tors. eta vs tors. theta energy: -64.302
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: 9, replica: 7
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -1139.110379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.110379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.110379 (E_RNA)
where:
Base-Base interactions energy: -734.636
where: short stacking energy: -320.160
Base-Backbone interact. energy: -0.659
local terms energy: -403.815484
where:
bonds (distance) C4'-P energy: -87.093
bonds (distance) P-C4' energy: -89.924
flat angles C4'-P-C4' energy: -90.687
flat angles P-C4'-P energy: -64.839
tors. eta vs tors. theta energy: -71.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -579.804775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.804775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.804775 (E_RNA)
where:
Base-Base interactions energy: -309.680
where: short stacking energy: -152.491
Base-Backbone interact. energy: -1.205
local terms energy: -268.919134
where:
bonds (distance) C4'-P energy: -90.933
bonds (distance) P-C4' energy: -81.772
flat angles C4'-P-C4' energy: -65.646
flat angles P-C4'-P energy: -35.631
tors. eta vs tors. theta energy: 5.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1638.464761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.464761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.464761 (E_RNA)
where:
Base-Base interactions energy: -1078.185
where: short stacking energy: -521.108
Base-Backbone interact. energy: -2.564
local terms energy: -557.716389
where:
bonds (distance) C4'-P energy: -102.833
bonds (distance) P-C4' energy: -111.668
flat angles C4'-P-C4' energy: -127.218
flat angles P-C4'-P energy: -73.566
tors. eta vs tors. theta energy: -142.432
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: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1606.796706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.796706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.796706 (E_RNA)
where:
Base-Base interactions energy: -1052.251
where: short stacking energy: -467.292
Base-Backbone interact. energy: -3.342
local terms energy: -551.203374
where:
bonds (distance) C4'-P energy: -120.482
bonds (distance) P-C4' energy: -112.714
flat angles C4'-P-C4' energy: -110.996
flat angles P-C4'-P energy: -74.032
tors. eta vs tors. theta energy: -132.979
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: 10
Temperature: 1.000000
Total energy: -1514.918518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.918518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.918518 (E_RNA)
where:
Base-Base interactions energy: -980.655
where: short stacking energy: -456.189
Base-Backbone interact. energy: -4.318
local terms energy: -529.945355
where:
bonds (distance) C4'-P energy: -105.882
bonds (distance) P-C4' energy: -102.911
flat angles C4'-P-C4' energy: -119.030
flat angles P-C4'-P energy: -80.334
tors. eta vs tors. theta energy: -121.788
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: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1435.285537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.285537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.285537 (E_RNA)
where:
Base-Base interactions energy: -946.226
where: short stacking energy: -451.754
Base-Backbone interact. energy: -1.520
local terms energy: -487.539570
where:
bonds (distance) C4'-P energy: -92.948
bonds (distance) P-C4' energy: -89.144
flat angles C4'-P-C4' energy: -110.657
flat angles P-C4'-P energy: -75.424
tors. eta vs tors. theta energy: -119.367
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: 3
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1306.567905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.567905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.567905 (E_RNA)
where:
Base-Base interactions energy: -848.894
where: short stacking energy: -403.979
Base-Backbone interact. energy: -1.654
local terms energy: -456.019400
where:
bonds (distance) C4'-P energy: -78.359
bonds (distance) P-C4' energy: -97.223
flat angles C4'-P-C4' energy: -97.448
flat angles P-C4'-P energy: -78.896
tors. eta vs tors. theta energy: -104.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -1262.442484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.442484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.442484 (E_RNA)
where:
Base-Base interactions energy: -830.355
where: short stacking energy: -369.210
Base-Backbone interact. energy: -1.485
local terms energy: -430.602641
where:
bonds (distance) C4'-P energy: -87.804
bonds (distance) P-C4' energy: -93.767
flat angles C4'-P-C4' energy: -103.719
flat angles P-C4'-P energy: -59.479
tors. eta vs tors. theta energy: -85.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -1234.904332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.904332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.904332 (E_RNA)
where:
Base-Base interactions energy: -822.230
where: short stacking energy: -365.893
Base-Backbone interact. energy: -2.720
local terms energy: -409.955071
where:
bonds (distance) C4'-P energy: -80.571
bonds (distance) P-C4' energy: -84.616
flat angles C4'-P-C4' energy: -99.536
flat angles P-C4'-P energy: -68.772
tors. eta vs tors. theta energy: -76.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -1115.872507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.872507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.872507 (E_RNA)
where:
Base-Base interactions energy: -720.008
where: short stacking energy: -323.645
Base-Backbone interact. energy: 1.725
local terms energy: -397.589444
where:
bonds (distance) C4'-P energy: -94.431
bonds (distance) P-C4' energy: -88.523
flat angles C4'-P-C4' energy: -84.916
flat angles P-C4'-P energy: -56.755
tors. eta vs tors. theta energy: -72.964
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: 10
Temperature: 1.300000
Total energy: -1146.291623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.291623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.291623 (E_RNA)
where:
Base-Base interactions energy: -752.686
where: short stacking energy: -315.403
Base-Backbone interact. energy: -2.195
local terms energy: -391.410376
where:
bonds (distance) C4'-P energy: -91.509
bonds (distance) P-C4' energy: -85.090
flat angles C4'-P-C4' energy: -94.783
flat angles P-C4'-P energy: -47.779
tors. eta vs tors. theta energy: -72.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -622.730916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.730916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.730916 (E_RNA)
where:
Base-Base interactions energy: -342.410
where: short stacking energy: -182.611
Base-Backbone interact. energy: 0.861
local terms energy: -281.181566
where:
bonds (distance) C4'-P energy: -79.503
bonds (distance) P-C4' energy: -92.042
flat angles C4'-P-C4' energy: -86.903
flat angles P-C4'-P energy: -40.367
tors. eta vs tors. theta energy: 17.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1666.931404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.931404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.931404 (E_RNA)
where:
Base-Base interactions energy: -1086.455
where: short stacking energy: -517.493
Base-Backbone interact. energy: -3.264
local terms energy: -577.212720
where:
bonds (distance) C4'-P energy: -119.521
bonds (distance) P-C4' energy: -110.581
flat angles C4'-P-C4' energy: -122.549
flat angles P-C4'-P energy: -75.105
tors. eta vs tors. theta energy: -149.457
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: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1560.507011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.507011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.507011 (E_RNA)
where:
Base-Base interactions energy: -1019.524
where: short stacking energy: -457.853
Base-Backbone interact. energy: -4.843
local terms energy: -536.139745
where:
bonds (distance) C4'-P energy: -116.944
bonds (distance) P-C4' energy: -100.906
flat angles C4'-P-C4' energy: -106.844
flat angles P-C4'-P energy: -81.949
tors. eta vs tors. theta energy: -129.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1530.602902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.602902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.602902 (E_RNA)
where:
Base-Base interactions energy: -1011.822
where: short stacking energy: -474.693
Base-Backbone interact. energy: -0.994
local terms energy: -517.787215
where:
bonds (distance) C4'-P energy: -99.503
bonds (distance) P-C4' energy: -111.063
flat angles C4'-P-C4' energy: -113.721
flat angles P-C4'-P energy: -63.961
tors. eta vs tors. theta energy: -129.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1432.889715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.889715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.889715 (E_RNA)
where:
Base-Base interactions energy: -959.008
where: short stacking energy: -413.118
Base-Backbone interact. energy: 0.745
local terms energy: -474.626609
where:
bonds (distance) C4'-P energy: -105.158
bonds (distance) P-C4' energy: -94.569
flat angles C4'-P-C4' energy: -112.842
flat angles P-C4'-P energy: -69.107
tors. eta vs tors. theta energy: -92.951
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: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1314.642732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.642732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.642732 (E_RNA)
where:
Base-Base interactions energy: -855.131
where: short stacking energy: -373.967
Base-Backbone interact. energy: -1.219
local terms energy: -458.293494
where:
bonds (distance) C4'-P energy: -94.490
bonds (distance) P-C4' energy: -104.001
flat angles C4'-P-C4' energy: -100.236
flat angles P-C4'-P energy: -71.529
tors. eta vs tors. theta energy: -88.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1282.125975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.125975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.125975 (E_RNA)
where:
Base-Base interactions energy: -857.167
where: short stacking energy: -390.823
Base-Backbone interact. energy: 0.438
local terms energy: -425.397050
where:
bonds (distance) C4'-P energy: -91.702
bonds (distance) P-C4' energy: -94.527
flat angles C4'-P-C4' energy: -105.701
flat angles P-C4'-P energy: -56.246
tors. eta vs tors. theta energy: -77.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -1249.196519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.196519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.196519 (E_RNA)
where:
Base-Base interactions energy: -828.207
where: short stacking energy: -343.287
Base-Backbone interact. energy: 2.217
local terms energy: -423.207455
where:
bonds (distance) C4'-P energy: -89.924
bonds (distance) P-C4' energy: -102.682
flat angles C4'-P-C4' energy: -94.508
flat angles P-C4'-P energy: -57.583
tors. eta vs tors. theta energy: -78.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -1167.150151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.150151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.150151 (E_RNA)
where:
Base-Base interactions energy: -738.422
where: short stacking energy: -309.057
Base-Backbone interact. energy: 2.993
local terms energy: -431.720804
where:
bonds (distance) C4'-P energy: -97.443
bonds (distance) P-C4' energy: -101.805
flat angles C4'-P-C4' energy: -90.048
flat angles P-C4'-P energy: -71.250
tors. eta vs tors. theta energy: -71.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -975.561477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.561477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.561477 (E_RNA)
where:
Base-Base interactions energy: -605.508
where: short stacking energy: -279.755
Base-Backbone interact. energy: -0.250
local terms energy: -369.802973
where:
bonds (distance) C4'-P energy: -96.838
bonds (distance) P-C4' energy: -84.032
flat angles C4'-P-C4' energy: -85.642
flat angles P-C4'-P energy: -54.318
tors. eta vs tors. theta energy: -48.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -642.510602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.510602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.510602 (E_RNA)
where:
Base-Base interactions energy: -323.312
where: short stacking energy: -180.209
Base-Backbone interact. energy: -2.223
local terms energy: -316.975693
where:
bonds (distance) C4'-P energy: -89.734
bonds (distance) P-C4' energy: -94.146
flat angles C4'-P-C4' energy: -78.315
flat angles P-C4'-P energy: -49.381
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: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1619.047005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.047005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.047005 (E_RNA)
where:
Base-Base interactions energy: -1043.942
where: short stacking energy: -498.072
Base-Backbone interact. energy: -3.609
local terms energy: -571.495158
where:
bonds (distance) C4'-P energy: -108.742
bonds (distance) P-C4' energy: -118.133
flat angles C4'-P-C4' energy: -123.986
flat angles P-C4'-P energy: -81.842
tors. eta vs tors. theta energy: -138.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1518.545351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.545351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.545351 (E_RNA)
where:
Base-Base interactions energy: -1005.102
where: short stacking energy: -459.291
Base-Backbone interact. energy: -2.694
local terms energy: -510.749837
where:
bonds (distance) C4'-P energy: -97.573
bonds (distance) P-C4' energy: -88.323
flat angles C4'-P-C4' energy: -121.859
flat angles P-C4'-P energy: -77.853
tors. eta vs tors. theta energy: -125.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1541.420206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.420206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.420206 (E_RNA)
where:
Base-Base interactions energy: -1031.708
where: short stacking energy: -458.212
Base-Backbone interact. energy: -0.479
local terms energy: -509.232707
where:
bonds (distance) C4'-P energy: -105.191
bonds (distance) P-C4' energy: -104.801
flat angles C4'-P-C4' energy: -98.387
flat angles P-C4'-P energy: -77.527
tors. eta vs tors. theta energy: -123.327
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: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1413.551480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.551480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.551480 (E_RNA)
where:
Base-Base interactions energy: -954.282
where: short stacking energy: -401.991
Base-Backbone interact. energy: -0.452
local terms energy: -458.816940
where:
bonds (distance) C4'-P energy: -103.460
bonds (distance) P-C4' energy: -104.992
flat angles C4'-P-C4' energy: -99.884
flat angles P-C4'-P energy: -60.701
tors. eta vs tors. theta energy: -89.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1350.703619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.703619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.703619 (E_RNA)
where:
Base-Base interactions energy: -888.415
where: short stacking energy: -392.305
Base-Backbone interact. energy: 2.707
local terms energy: -464.996026
where:
bonds (distance) C4'-P energy: -109.263
bonds (distance) P-C4' energy: -98.829
flat angles C4'-P-C4' energy: -101.195
flat angles P-C4'-P energy: -68.739
tors. eta vs tors. theta energy: -86.970
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: 3
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1263.467543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.467543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.467543 (E_RNA)
where:
Base-Base interactions energy: -819.541
where: short stacking energy: -363.025
Base-Backbone interact. energy: -0.269
local terms energy: -443.657361
where:
bonds (distance) C4'-P energy: -88.775
bonds (distance) P-C4' energy: -105.633
flat angles C4'-P-C4' energy: -92.927
flat angles P-C4'-P energy: -68.341
tors. eta vs tors. theta energy: -87.982
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: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -1246.473857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.473857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.473857 (E_RNA)
where:
Base-Base interactions energy: -841.450
where: short stacking energy: -365.583
Base-Backbone interact. energy: -2.993
local terms energy: -402.030017
where:
bonds (distance) C4'-P energy: -76.105
bonds (distance) P-C4' energy: -86.950
flat angles C4'-P-C4' energy: -93.132
flat angles P-C4'-P energy: -58.527
tors. eta vs tors. theta energy: -87.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -1162.210346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.210346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.210346 (E_RNA)
where:
Base-Base interactions energy: -762.831
where: short stacking energy: -331.175
Base-Backbone interact. energy: -1.829
local terms energy: -397.550783
where:
bonds (distance) C4'-P energy: -88.074
bonds (distance) P-C4' energy: -87.102
flat angles C4'-P-C4' energy: -92.848
flat angles P-C4'-P energy: -56.701
tors. eta vs tors. theta energy: -72.826
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: 12
Temperature: 1.300000
Total energy: -1018.864731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.864731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.864731 (E_RNA)
where:
Base-Base interactions energy: -644.343
where: short stacking energy: -269.508
Base-Backbone interact. energy: -0.301
local terms energy: -374.221250
where:
bonds (distance) C4'-P energy: -89.734
bonds (distance) P-C4' energy: -81.163
flat angles C4'-P-C4' energy: -91.171
flat angles P-C4'-P energy: -59.597
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: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -602.785937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.785937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.785937 (E_RNA)
where:
Base-Base interactions energy: -304.135
where: short stacking energy: -157.928
Base-Backbone interact. energy: -2.753
local terms energy: -295.897447
where:
bonds (distance) C4'-P energy: -90.735
bonds (distance) P-C4' energy: -87.573
flat angles C4'-P-C4' energy: -76.558
flat angles P-C4'-P energy: -53.202
tors. eta vs tors. theta energy: 12.171
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: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1629.480073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.480073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.480073 (E_RNA)
where:
Base-Base interactions energy: -1043.300
where: short stacking energy: -509.531
Base-Backbone interact. energy: -2.637
local terms energy: -583.543261
where:
bonds (distance) C4'-P energy: -112.839
bonds (distance) P-C4' energy: -124.017
flat angles C4'-P-C4' energy: -126.198
flat angles P-C4'-P energy: -84.578
tors. eta vs tors. theta energy: -135.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1593.722800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.722800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.722800 (E_RNA)
where:
Base-Base interactions energy: -1044.796
where: short stacking energy: -496.879
Base-Backbone interact. energy: -1.166
local terms energy: -547.760795
where:
bonds (distance) C4'-P energy: -103.573
bonds (distance) P-C4' energy: -109.473
flat angles C4'-P-C4' energy: -115.897
flat angles P-C4'-P energy: -88.737
tors. eta vs tors. theta energy: -130.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1522.734537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.734537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.734537 (E_RNA)
where:
Base-Base interactions energy: -990.902
where: short stacking energy: -481.415
Base-Backbone interact. energy: -0.707
local terms energy: -531.125941
where:
bonds (distance) C4'-P energy: -97.845
bonds (distance) P-C4' energy: -106.238
flat angles C4'-P-C4' energy: -119.992
flat angles P-C4'-P energy: -66.919
tors. eta vs tors. theta energy: -140.131
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: 5
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1463.442982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.442982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.442982 (E_RNA)
where:
Base-Base interactions energy: -958.318
where: short stacking energy: -461.063
Base-Backbone interact. energy: -1.049
local terms energy: -504.076607
where:
bonds (distance) C4'-P energy: -100.666
bonds (distance) P-C4' energy: -110.733
flat angles C4'-P-C4' energy: -93.840
flat angles P-C4'-P energy: -69.506
tors. eta vs tors. theta energy: -129.332
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: 9
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1403.867814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.867814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.867814 (E_RNA)
where:
Base-Base interactions energy: -931.232
where: short stacking energy: -402.296
Base-Backbone interact. energy: 2.237
local terms energy: -474.872866
where:
bonds (distance) C4'-P energy: -107.830
bonds (distance) P-C4' energy: -97.037
flat angles C4'-P-C4' energy: -106.116
flat angles P-C4'-P energy: -64.971
tors. eta vs tors. theta energy: -98.918
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: 3
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -1270.193481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.193481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.193481 (E_RNA)
where:
Base-Base interactions energy: -837.045
where: short stacking energy: -375.967
Base-Backbone interact. energy: -4.173
local terms energy: -428.975969
where:
bonds (distance) C4'-P energy: -94.585
bonds (distance) P-C4' energy: -84.480
flat angles C4'-P-C4' energy: -97.832
flat angles P-C4'-P energy: -66.619
tors. eta vs tors. theta energy: -85.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -1207.744332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.744332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.744332 (E_RNA)
where:
Base-Base interactions energy: -778.659
where: short stacking energy: -327.536
Base-Backbone interact. energy: 0.246
local terms energy: -429.330990
where:
bonds (distance) C4'-P energy: -84.917
bonds (distance) P-C4' energy: -104.157
flat angles C4'-P-C4' energy: -90.870
flat angles P-C4'-P energy: -71.443
tors. eta vs tors. theta energy: -77.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -1212.701672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.701672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.701672 (E_RNA)
where:
Base-Base interactions energy: -798.961
where: short stacking energy: -358.282
Base-Backbone interact. energy: 3.551
local terms energy: -417.291400
where:
bonds (distance) C4'-P energy: -81.342
bonds (distance) P-C4' energy: -106.112
flat angles C4'-P-C4' energy: -90.875
flat angles P-C4'-P energy: -59.724
tors. eta vs tors. theta energy: -79.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -1001.284097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.284097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.284097 (E_RNA)
where:
Base-Base interactions energy: -627.238
where: short stacking energy: -268.232
Base-Backbone interact. energy: -1.592
local terms energy: -372.453773
where:
bonds (distance) C4'-P energy: -90.851
bonds (distance) P-C4' energy: -89.115
flat angles C4'-P-C4' energy: -79.218
flat angles P-C4'-P energy: -60.973
tors. eta vs tors. theta energy: -52.296
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: 13
Temperature: 1.350000
Total energy: -586.276860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.276860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.276860 (E_RNA)
where:
Base-Base interactions energy: -285.554
where: short stacking energy: -179.170
Base-Backbone interact. energy: 1.496
local terms energy: -302.218254
where:
bonds (distance) C4'-P energy: -67.924
bonds (distance) P-C4' energy: -96.556
flat angles C4'-P-C4' energy: -89.628
flat angles P-C4'-P energy: -43.296
tors. eta vs tors. theta energy: -4.815
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: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1640.129482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.129482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.129482 (E_RNA)
where:
Base-Base interactions energy: -1078.052
where: short stacking energy: -507.956
Base-Backbone interact. energy: 1.220
local terms energy: -563.297251
where:
bonds (distance) C4'-P energy: -106.463
bonds (distance) P-C4' energy: -101.655
flat angles C4'-P-C4' energy: -124.126
flat angles P-C4'-P energy: -90.168
tors. eta vs tors. theta energy: -140.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1568.742256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.742256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.742256 (E_RNA)
where:
Base-Base interactions energy: -1024.939
where: short stacking energy: -475.740
Base-Backbone interact. energy: -3.116
local terms energy: -540.687156
where:
bonds (distance) C4'-P energy: -111.489
bonds (distance) P-C4' energy: -101.208
flat angles C4'-P-C4' energy: -115.228
flat angles P-C4'-P energy: -81.158
tors. eta vs tors. theta energy: -131.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1512.671615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.671615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.671615 (E_RNA)
where:
Base-Base interactions energy: -1002.053
where: short stacking energy: -460.377
Base-Backbone interact. energy: -2.122
local terms energy: -508.496224
where:
bonds (distance) C4'-P energy: -110.335
bonds (distance) P-C4' energy: -101.254
flat angles C4'-P-C4' energy: -105.517
flat angles P-C4'-P energy: -73.413
tors. eta vs tors. theta energy: -117.976
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: 4, replica: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1426.770370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.770370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.770370 (E_RNA)
where:
Base-Base interactions energy: -935.819
where: short stacking energy: -389.794
Base-Backbone interact. energy: -2.427
local terms energy: -488.524146
where:
bonds (distance) C4'-P energy: -103.937
bonds (distance) P-C4' energy: -109.661
flat angles C4'-P-C4' energy: -111.838
flat angles P-C4'-P energy: -61.281
tors. eta vs tors. theta energy: -101.807
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: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1399.223349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.223349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.223349 (E_RNA)
where:
Base-Base interactions energy: -932.262
where: short stacking energy: -399.871
Base-Backbone interact. energy: -2.080
local terms energy: -464.880520
where:
bonds (distance) C4'-P energy: -103.547
bonds (distance) P-C4' energy: -101.413
flat angles C4'-P-C4' energy: -95.197
flat angles P-C4'-P energy: -72.361
tors. eta vs tors. theta energy: -92.363
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: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1310.961109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.961109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.961109 (E_RNA)
where:
Base-Base interactions energy: -852.610
where: short stacking energy: -377.141
Base-Backbone interact. energy: -1.608
local terms energy: -456.742277
where:
bonds (distance) C4'-P energy: -85.674
bonds (distance) P-C4' energy: -99.339
flat angles C4'-P-C4' energy: -106.038
flat angles P-C4'-P energy: -76.158
tors. eta vs tors. theta energy: -89.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -1252.210274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.210274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.210274 (E_RNA)
where:
Base-Base interactions energy: -832.814
where: short stacking energy: -389.663
Base-Backbone interact. energy: 0.117
local terms energy: -419.513186
where:
bonds (distance) C4'-P energy: -88.542
bonds (distance) P-C4' energy: -83.911
flat angles C4'-P-C4' energy: -91.216
flat angles P-C4'-P energy: -63.350
tors. eta vs tors. theta energy: -92.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -1200.817811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.817811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.817811 (E_RNA)
where:
Base-Base interactions energy: -794.684
where: short stacking energy: -328.742
Base-Backbone interact. energy: -3.371
local terms energy: -402.762672
where:
bonds (distance) C4'-P energy: -88.338
bonds (distance) P-C4' energy: -93.366
flat angles C4'-P-C4' energy: -93.964
flat angles P-C4'-P energy: -57.122
tors. eta vs tors. theta energy: -69.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -1047.750899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.750899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.750899 (E_RNA)
where:
Base-Base interactions energy: -672.463
where: short stacking energy: -281.376
Base-Backbone interact. energy: -1.167
local terms energy: -374.120634
where:
bonds (distance) C4'-P energy: -85.563
bonds (distance) P-C4' energy: -90.356
flat angles C4'-P-C4' energy: -95.738
flat angles P-C4'-P energy: -46.968
tors. eta vs tors. theta energy: -55.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -568.400834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.400834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.400834 (E_RNA)
where:
Base-Base interactions energy: -270.391
where: short stacking energy: -157.513
Base-Backbone interact. energy: 4.747
local terms energy: -302.756393
where:
bonds (distance) C4'-P energy: -95.682
bonds (distance) P-C4' energy: -97.959
flat angles C4'-P-C4' energy: -68.295
flat angles P-C4'-P energy: -44.722
tors. eta vs tors. theta energy: 3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1654.100085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.100085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.100085 (E_RNA)
where:
Base-Base interactions energy: -1092.997
where: short stacking energy: -499.593
Base-Backbone interact. energy: -1.660
local terms energy: -559.442350
where:
bonds (distance) C4'-P energy: -104.178
bonds (distance) P-C4' energy: -112.940
flat angles C4'-P-C4' energy: -121.674
flat angles P-C4'-P energy: -76.701
tors. eta vs tors. theta energy: -143.951
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: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1558.262783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.262783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.262783 (E_RNA)
where:
Base-Base interactions energy: -1008.946
where: short stacking energy: -470.093
Base-Backbone interact. energy: -2.008
local terms energy: -547.308808
where:
bonds (distance) C4'-P energy: -99.781
bonds (distance) P-C4' energy: -119.860
flat angles C4'-P-C4' energy: -121.394
flat angles P-C4'-P energy: -69.812
tors. eta vs tors. theta energy: -136.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1519.699957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.699957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.699957 (E_RNA)
where:
Base-Base interactions energy: -1000.101
where: short stacking energy: -465.299
Base-Backbone interact. energy: -3.120
local terms energy: -516.478827
where:
bonds (distance) C4'-P energy: -108.632
bonds (distance) P-C4' energy: -115.727
flat angles C4'-P-C4' energy: -108.133
flat angles P-C4'-P energy: -58.736
tors. eta vs tors. theta energy: -125.251
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: 4, replica: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1419.666192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.666192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.666192 (E_RNA)
where:
Base-Base interactions energy: -933.459
where: short stacking energy: -414.433
Base-Backbone interact. energy: -1.342
local terms energy: -484.865195
where:
bonds (distance) C4'-P energy: -99.488
bonds (distance) P-C4' energy: -91.062
flat angles C4'-P-C4' energy: -113.001
flat angles P-C4'-P energy: -71.283
tors. eta vs tors. theta energy: -110.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1399.254378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.254378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.254378 (E_RNA)
where:
Base-Base interactions energy: -926.795
where: short stacking energy: -410.739
Base-Backbone interact. energy: -0.809
local terms energy: -471.650184
where:
bonds (distance) C4'-P energy: -95.784
bonds (distance) P-C4' energy: -103.421
flat angles C4'-P-C4' energy: -98.199
flat angles P-C4'-P energy: -75.124
tors. eta vs tors. theta energy: -99.123
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: 3
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1295.735171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.735171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.735171 (E_RNA)
where:
Base-Base interactions energy: -853.383
where: short stacking energy: -370.119
Base-Backbone interact. energy: 3.413
local terms energy: -445.765468
where:
bonds (distance) C4'-P energy: -98.218
bonds (distance) P-C4' energy: -92.350
flat angles C4'-P-C4' energy: -93.541
flat angles P-C4'-P energy: -68.396
tors. eta vs tors. theta energy: -93.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -1192.438920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.438920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.438920 (E_RNA)
where:
Base-Base interactions energy: -767.379
where: short stacking energy: -320.013
Base-Backbone interact. energy: -2.895
local terms energy: -422.164163
where:
bonds (distance) C4'-P energy: -96.071
bonds (distance) P-C4' energy: -93.038
flat angles C4'-P-C4' energy: -94.586
flat angles P-C4'-P energy: -60.005
tors. eta vs tors. theta energy: -78.465
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: 15
Temperature: 1.250000
Total energy: -1127.639532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.639532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.639532 (E_RNA)
where:
Base-Base interactions energy: -741.119
where: short stacking energy: -319.350
Base-Backbone interact. energy: -1.863
local terms energy: -384.657371
where:
bonds (distance) C4'-P energy: -96.849
bonds (distance) P-C4' energy: -81.664
flat angles C4'-P-C4' energy: -80.130
flat angles P-C4'-P energy: -59.471
tors. eta vs tors. theta energy: -66.544
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: 15
Temperature: 1.300000
Total energy: -1040.457197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.457197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.457197 (E_RNA)
where:
Base-Base interactions energy: -673.776
where: short stacking energy: -290.431
Base-Backbone interact. energy: -1.223
local terms energy: -365.458117
where:
bonds (distance) C4'-P energy: -98.916
bonds (distance) P-C4' energy: -88.882
flat angles C4'-P-C4' energy: -72.540
flat angles P-C4'-P energy: -50.769
tors. eta vs tors. theta energy: -54.351
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: 15
Temperature: 1.350000
Total energy: -599.632968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.632968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.632968 (E_RNA)
where:
Base-Base interactions energy: -306.110
where: short stacking energy: -170.875
Base-Backbone interact. energy: 2.450
local terms energy: -295.972927
where:
bonds (distance) C4'-P energy: -89.932
bonds (distance) P-C4' energy: -82.975
flat angles C4'-P-C4' energy: -64.804
flat angles P-C4'-P energy: -47.632
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: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1653.769513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.769513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.769513 (E_RNA)
where:
Base-Base interactions energy: -1083.689
where: short stacking energy: -516.939
Base-Backbone interact. energy: -1.464
local terms energy: -568.616823
where:
bonds (distance) C4'-P energy: -97.166
bonds (distance) P-C4' energy: -106.155
flat angles C4'-P-C4' energy: -118.285
flat angles P-C4'-P energy: -90.965
tors. eta vs tors. theta energy: -156.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1579.440121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.440121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.440121 (E_RNA)
where:
Base-Base interactions energy: -1035.499
where: short stacking energy: -493.211
Base-Backbone interact. energy: -3.608
local terms energy: -540.332652
where:
bonds (distance) C4'-P energy: -101.828
bonds (distance) P-C4' energy: -115.938
flat angles C4'-P-C4' energy: -120.843
flat angles P-C4'-P energy: -65.299
tors. eta vs tors. theta energy: -136.424
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: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1480.241953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.241953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.241953 (E_RNA)
where:
Base-Base interactions energy: -949.046
where: short stacking energy: -453.037
Base-Backbone interact. energy: 0.574
local terms energy: -531.769234
where:
bonds (distance) C4'-P energy: -90.706
bonds (distance) P-C4' energy: -103.648
flat angles C4'-P-C4' energy: -121.871
flat angles P-C4'-P energy: -89.804
tors. eta vs tors. theta energy: -125.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1472.570616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.570616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.570616 (E_RNA)
where:
Base-Base interactions energy: -990.241
where: short stacking energy: -465.712
Base-Backbone interact. energy: -2.086
local terms energy: -480.243259
where:
bonds (distance) C4'-P energy: -93.801
bonds (distance) P-C4' energy: -93.576
flat angles C4'-P-C4' energy: -111.298
flat angles P-C4'-P energy: -59.441
tors. eta vs tors. theta energy: -122.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1382.207445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.207445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.207445 (E_RNA)
where:
Base-Base interactions energy: -919.929
where: short stacking energy: -417.817
Base-Backbone interact. energy: 9.255
local terms energy: -471.533296
where:
bonds (distance) C4'-P energy: -91.035
bonds (distance) P-C4' energy: -107.727
flat angles C4'-P-C4' energy: -115.017
flat angles P-C4'-P energy: -63.254
tors. eta vs tors. theta energy: -94.500
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: 16
Temperature: 1.150000
Total energy: -1279.970107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.970107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.970107 (E_RNA)
where:
Base-Base interactions energy: -828.790
where: short stacking energy: -376.704
Base-Backbone interact. energy: -0.015
local terms energy: -451.165128
where:
bonds (distance) C4'-P energy: -91.270
bonds (distance) P-C4' energy: -106.596
flat angles C4'-P-C4' energy: -109.118
flat angles P-C4'-P energy: -58.192
tors. eta vs tors. theta energy: -85.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -1180.638556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.638556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.638556 (E_RNA)
where:
Base-Base interactions energy: -776.973
where: short stacking energy: -340.463
Base-Backbone interact. energy: 1.268
local terms energy: -404.933114
where:
bonds (distance) C4'-P energy: -89.255
bonds (distance) P-C4' energy: -102.818
flat angles C4'-P-C4' energy: -90.037
flat angles P-C4'-P energy: -55.182
tors. eta vs tors. theta energy: -67.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -1127.689545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.689545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.689545 (E_RNA)
where:
Base-Base interactions energy: -720.314
where: short stacking energy: -307.833
Base-Backbone interact. energy: -0.738
local terms energy: -406.637475
where:
bonds (distance) C4'-P energy: -94.369
bonds (distance) P-C4' energy: -96.235
flat angles C4'-P-C4' energy: -90.082
flat angles P-C4'-P energy: -73.717
tors. eta vs tors. theta energy: -52.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -1062.040397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.040397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.040397 (E_RNA)
where:
Base-Base interactions energy: -674.041
where: short stacking energy: -306.093
Base-Backbone interact. energy: 2.045
local terms energy: -390.045146
where:
bonds (distance) C4'-P energy: -83.170
bonds (distance) P-C4' energy: -85.565
flat angles C4'-P-C4' energy: -101.162
flat angles P-C4'-P energy: -56.961
tors. eta vs tors. theta energy: -63.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -581.724533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.724533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.724533 (E_RNA)
where:
Base-Base interactions energy: -284.984
where: short stacking energy: -154.150
Base-Backbone interact. energy: -2.099
local terms energy: -294.641183
where:
bonds (distance) C4'-P energy: -89.260
bonds (distance) P-C4' energy: -87.662
flat angles C4'-P-C4' energy: -58.321
flat angles P-C4'-P energy: -61.517
tors. eta vs tors. theta energy: 2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1685.005221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.005221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.005221 (E_RNA)
where:
Base-Base interactions energy: -1122.418
where: short stacking energy: -528.734
Base-Backbone interact. energy: 0.919
local terms energy: -563.506219
where:
bonds (distance) C4'-P energy: -110.221
bonds (distance) P-C4' energy: -109.791
flat angles C4'-P-C4' energy: -116.254
flat angles P-C4'-P energy: -81.991
tors. eta vs tors. theta energy: -145.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1520.068280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.068280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.068280 (E_RNA)
where:
Base-Base interactions energy: -991.075
where: short stacking energy: -475.140
Base-Backbone interact. energy: -3.625
local terms energy: -525.368696
where:
bonds (distance) C4'-P energy: -110.194
bonds (distance) P-C4' energy: -90.962
flat angles C4'-P-C4' energy: -124.303
flat angles P-C4'-P energy: -69.825
tors. eta vs tors. theta energy: -130.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1522.274535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.274535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.274535 (E_RNA)
where:
Base-Base interactions energy: -1026.115
where: short stacking energy: -484.324
Base-Backbone interact. energy: 0.839
local terms energy: -496.998348
where:
bonds (distance) C4'-P energy: -91.140
bonds (distance) P-C4' energy: -107.531
flat angles C4'-P-C4' energy: -98.927
flat angles P-C4'-P energy: -63.340
tors. eta vs tors. theta energy: -136.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1480.349636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.349636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.349636 (E_RNA)
where:
Base-Base interactions energy: -993.054
where: short stacking energy: -446.588
Base-Backbone interact. energy: -0.852
local terms energy: -486.443811
where:
bonds (distance) C4'-P energy: -84.626
bonds (distance) P-C4' energy: -103.699
flat angles C4'-P-C4' energy: -105.433
flat angles P-C4'-P energy: -66.465
tors. eta vs tors. theta energy: -126.220
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: 5, replica: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1405.254892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.254892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.254892 (E_RNA)
where:
Base-Base interactions energy: -927.029
where: short stacking energy: -436.373
Base-Backbone interact. energy: 1.260
local terms energy: -479.485785
where:
bonds (distance) C4'-P energy: -109.233
bonds (distance) P-C4' energy: -94.188
flat angles C4'-P-C4' energy: -107.448
flat angles P-C4'-P energy: -57.856
tors. eta vs tors. theta energy: -110.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1267.379021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.379021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.379021 (E_RNA)
where:
Base-Base interactions energy: -829.952
where: short stacking energy: -367.653
Base-Backbone interact. energy: 2.388
local terms energy: -439.815752
where:
bonds (distance) C4'-P energy: -94.972
bonds (distance) P-C4' energy: -100.063
flat angles C4'-P-C4' energy: -86.253
flat angles P-C4'-P energy: -63.503
tors. eta vs tors. theta energy: -95.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1143.538374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.538374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.538374 (E_RNA)
where:
Base-Base interactions energy: -745.228
where: short stacking energy: -331.381
Base-Backbone interact. energy: 0.179
local terms energy: -398.489000
where:
bonds (distance) C4'-P energy: -99.413
bonds (distance) P-C4' energy: -99.138
flat angles C4'-P-C4' energy: -84.481
flat angles P-C4'-P energy: -57.836
tors. eta vs tors. theta energy: -57.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -1145.559425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.559425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.559425 (E_RNA)
where:
Base-Base interactions energy: -759.019
where: short stacking energy: -329.368
Base-Backbone interact. energy: 0.037
local terms energy: -386.577812
where:
bonds (distance) C4'-P energy: -69.609
bonds (distance) P-C4' energy: -94.933
flat angles C4'-P-C4' energy: -100.356
flat angles P-C4'-P energy: -51.855
tors. eta vs tors. theta energy: -69.825
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: 17
Temperature: 1.300000
Total energy: -1083.479445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.479445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.479445 (E_RNA)
where:
Base-Base interactions energy: -699.928
where: short stacking energy: -302.636
Base-Backbone interact. energy: 2.095
local terms energy: -385.646465
where:
bonds (distance) C4'-P energy: -90.612
bonds (distance) P-C4' energy: -89.435
flat angles C4'-P-C4' energy: -89.490
flat angles P-C4'-P energy: -55.780
tors. eta vs tors. theta energy: -60.330
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: 17
Temperature: 1.350000
Total energy: -533.621215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.621215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.621215 (E_RNA)
where:
Base-Base interactions energy: -224.980
where: short stacking energy: -141.037
Base-Backbone interact. energy: -0.724
local terms energy: -307.917090
where:
bonds (distance) C4'-P energy: -83.412
bonds (distance) P-C4' energy: -96.586
flat angles C4'-P-C4' energy: -92.371
flat angles P-C4'-P energy: -55.096
tors. eta vs tors. theta energy: 19.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1668.883404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.883404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.883404 (E_RNA)
where:
Base-Base interactions energy: -1098.456
where: short stacking energy: -512.629
Base-Backbone interact. energy: -3.594
local terms energy: -566.833212
where:
bonds (distance) C4'-P energy: -110.755
bonds (distance) P-C4' energy: -110.653
flat angles C4'-P-C4' energy: -108.240
flat angles P-C4'-P energy: -88.805
tors. eta vs tors. theta energy: -148.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1517.025692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.025692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.025692 (E_RNA)
where:
Base-Base interactions energy: -993.886
where: short stacking energy: -479.242
Base-Backbone interact. energy: -3.832
local terms energy: -519.308040
where:
bonds (distance) C4'-P energy: -100.935
bonds (distance) P-C4' energy: -114.411
flat angles C4'-P-C4' energy: -106.036
flat angles P-C4'-P energy: -68.958
tors. eta vs tors. theta energy: -128.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1499.506625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.506625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.506625 (E_RNA)
where:
Base-Base interactions energy: -984.330
where: short stacking energy: -453.095
Base-Backbone interact. energy: -2.996
local terms energy: -512.180631
where:
bonds (distance) C4'-P energy: -103.354
bonds (distance) P-C4' energy: -99.900
flat angles C4'-P-C4' energy: -105.688
flat angles P-C4'-P energy: -79.374
tors. eta vs tors. theta energy: -123.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1508.493553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.493553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.493553 (E_RNA)
where:
Base-Base interactions energy: -967.248
where: short stacking energy: -429.898
Base-Backbone interact. energy: -1.045
local terms energy: -540.200890
where:
bonds (distance) C4'-P energy: -121.497
bonds (distance) P-C4' energy: -118.233
flat angles C4'-P-C4' energy: -115.836
flat angles P-C4'-P energy: -75.964
tors. eta vs tors. theta energy: -108.671
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: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1417.466504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.466504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.466504 (E_RNA)
where:
Base-Base interactions energy: -940.143
where: short stacking energy: -389.857
Base-Backbone interact. energy: -1.784
local terms energy: -475.539169
where:
bonds (distance) C4'-P energy: -90.438
bonds (distance) P-C4' energy: -107.665
flat angles C4'-P-C4' energy: -106.412
flat angles P-C4'-P energy: -75.550
tors. eta vs tors. theta energy: -95.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1307.414859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.414859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.414859 (E_RNA)
where:
Base-Base interactions energy: -853.873
where: short stacking energy: -397.772
Base-Backbone interact. energy: -3.368
local terms energy: -450.174351
where:
bonds (distance) C4'-P energy: -84.916
bonds (distance) P-C4' energy: -103.366
flat angles C4'-P-C4' energy: -98.831
flat angles P-C4'-P energy: -66.014
tors. eta vs tors. theta energy: -97.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1199.856161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.856161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.856161 (E_RNA)
where:
Base-Base interactions energy: -805.579
where: short stacking energy: -360.377
Base-Backbone interact. energy: -0.541
local terms energy: -393.736215
where:
bonds (distance) C4'-P energy: -79.246
bonds (distance) P-C4' energy: -81.331
flat angles C4'-P-C4' energy: -96.283
flat angles P-C4'-P energy: -61.562
tors. eta vs tors. theta energy: -75.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1090.253256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.253256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.253256 (E_RNA)
where:
Base-Base interactions energy: -690.555
where: short stacking energy: -319.758
Base-Backbone interact. energy: -1.307
local terms energy: -398.391460
where:
bonds (distance) C4'-P energy: -70.752
bonds (distance) P-C4' energy: -98.333
flat angles C4'-P-C4' energy: -109.098
flat angles P-C4'-P energy: -54.755
tors. eta vs tors. theta energy: -65.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -1068.860340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.860340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.860340 (E_RNA)
where:
Base-Base interactions energy: -711.945
where: short stacking energy: -310.741
Base-Backbone interact. energy: -0.985
local terms energy: -355.931030
where:
bonds (distance) C4'-P energy: -75.097
bonds (distance) P-C4' energy: -73.954
flat angles C4'-P-C4' energy: -89.099
flat angles P-C4'-P energy: -54.476
tors. eta vs tors. theta energy: -63.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -614.304634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.304634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.304634 (E_RNA)
where:
Base-Base interactions energy: -311.399
where: short stacking energy: -170.396
Base-Backbone interact. energy: 3.716
local terms energy: -306.621721
where:
bonds (distance) C4'-P energy: -87.148
bonds (distance) P-C4' energy: -89.717
flat angles C4'-P-C4' energy: -84.449
flat angles P-C4'-P energy: -30.874
tors. eta vs tors. theta energy: -14.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1650.475682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.475682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.475682 (E_RNA)
where:
Base-Base interactions energy: -1079.734
where: short stacking energy: -511.845
Base-Backbone interact. energy: 0.459
local terms energy: -571.200653
where:
bonds (distance) C4'-P energy: -110.228
bonds (distance) P-C4' energy: -102.538
flat angles C4'-P-C4' energy: -123.035
flat angles P-C4'-P energy: -85.299
tors. eta vs tors. theta energy: -150.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1542.928451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.928451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.928451 (E_RNA)
where:
Base-Base interactions energy: -1003.592
where: short stacking energy: -487.007
Base-Backbone interact. energy: -1.012
local terms energy: -538.324493
where:
bonds (distance) C4'-P energy: -105.126
bonds (distance) P-C4' energy: -105.243
flat angles C4'-P-C4' energy: -116.938
flat angles P-C4'-P energy: -76.887
tors. eta vs tors. theta energy: -134.130
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: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1513.035920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.035920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.035920 (E_RNA)
where:
Base-Base interactions energy: -965.836
where: short stacking energy: -451.896
Base-Backbone interact. energy: -2.320
local terms energy: -544.880074
where:
bonds (distance) C4'-P energy: -107.199
bonds (distance) P-C4' energy: -116.450
flat angles C4'-P-C4' energy: -113.472
flat angles P-C4'-P energy: -78.741
tors. eta vs tors. theta energy: -129.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1491.582462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.582462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.582462 (E_RNA)
where:
Base-Base interactions energy: -997.384
where: short stacking energy: -430.670
Base-Backbone interact. energy: -3.743
local terms energy: -490.456084
where:
bonds (distance) C4'-P energy: -104.596
bonds (distance) P-C4' energy: -106.396
flat angles C4'-P-C4' energy: -99.808
flat angles P-C4'-P energy: -72.288
tors. eta vs tors. theta energy: -107.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1394.272513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.272513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.272513 (E_RNA)
where:
Base-Base interactions energy: -925.157
where: short stacking energy: -396.803
Base-Backbone interact. energy: -2.914
local terms energy: -466.201562
where:
bonds (distance) C4'-P energy: -97.161
bonds (distance) P-C4' energy: -99.890
flat angles C4'-P-C4' energy: -95.969
flat angles P-C4'-P energy: -73.433
tors. eta vs tors. theta energy: -99.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1254.428354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.428354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.428354 (E_RNA)
where:
Base-Base interactions energy: -780.982
where: short stacking energy: -329.789
Base-Backbone interact. energy: -1.252
local terms energy: -472.194159
where:
bonds (distance) C4'-P energy: -90.665
bonds (distance) P-C4' energy: -116.880
flat angles C4'-P-C4' energy: -114.031
flat angles P-C4'-P energy: -73.326
tors. eta vs tors. theta energy: -77.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1216.105585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.105585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.105585 (E_RNA)
where:
Base-Base interactions energy: -807.638
where: short stacking energy: -353.973
Base-Backbone interact. energy: 1.501
local terms energy: -409.967723
where:
bonds (distance) C4'-P energy: -84.906
bonds (distance) P-C4' energy: -96.646
flat angles C4'-P-C4' energy: -89.120
flat angles P-C4'-P energy: -66.565
tors. eta vs tors. theta energy: -72.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1135.710583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.710583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.710583 (E_RNA)
where:
Base-Base interactions energy: -759.493
where: short stacking energy: -351.729
Base-Backbone interact. energy: 0.028
local terms energy: -376.245724
where:
bonds (distance) C4'-P energy: -71.000
bonds (distance) P-C4' energy: -86.634
flat angles C4'-P-C4' energy: -89.366
flat angles P-C4'-P energy: -48.859
tors. eta vs tors. theta energy: -80.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -1009.330158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.330158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.330158 (E_RNA)
where:
Base-Base interactions energy: -641.996
where: short stacking energy: -290.548
Base-Backbone interact. energy: 0.574
local terms energy: -367.907921
where:
bonds (distance) C4'-P energy: -70.111
bonds (distance) P-C4' energy: -90.743
flat angles C4'-P-C4' energy: -93.173
flat angles P-C4'-P energy: -69.045
tors. eta vs tors. theta energy: -44.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -653.872039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.872039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.872039 (E_RNA)
where:
Base-Base interactions energy: -335.181
where: short stacking energy: -162.993
Base-Backbone interact. energy: 1.123
local terms energy: -319.814126
where:
bonds (distance) C4'-P energy: -77.752
bonds (distance) P-C4' energy: -113.173
flat angles C4'-P-C4' energy: -73.049
flat angles P-C4'-P energy: -55.719
tors. eta vs tors. theta energy: -0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1674.086055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.086055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.086055 (E_RNA)
where:
Base-Base interactions energy: -1098.380
where: short stacking energy: -517.955
Base-Backbone interact. energy: -4.388
local terms energy: -571.318459
where:
bonds (distance) C4'-P energy: -111.008
bonds (distance) P-C4' energy: -112.854
flat angles C4'-P-C4' energy: -122.306
flat angles P-C4'-P energy: -77.260
tors. eta vs tors. theta energy: -147.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1545.852794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.852794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.852794 (E_RNA)
where:
Base-Base interactions energy: -1009.642
where: short stacking energy: -470.918
Base-Backbone interact. energy: -1.194
local terms energy: -535.016638
where:
bonds (distance) C4'-P energy: -93.815
bonds (distance) P-C4' energy: -123.228
flat angles C4'-P-C4' energy: -111.398
flat angles P-C4'-P energy: -73.158
tors. eta vs tors. theta energy: -133.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1457.689828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.689828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.689828 (E_RNA)
where:
Base-Base interactions energy: -953.650
where: short stacking energy: -462.265
Base-Backbone interact. energy: -1.685
local terms energy: -502.355420
where:
bonds (distance) C4'-P energy: -100.475
bonds (distance) P-C4' energy: -109.342
flat angles C4'-P-C4' energy: -116.614
flat angles P-C4'-P energy: -69.852
tors. eta vs tors. theta energy: -106.073
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: 9
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1478.881362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.881362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.881362 (E_RNA)
where:
Base-Base interactions energy: -995.132
where: short stacking energy: -415.685
Base-Backbone interact. energy: -3.009
local terms energy: -480.740527
where:
bonds (distance) C4'-P energy: -103.085
bonds (distance) P-C4' energy: -98.293
flat angles C4'-P-C4' energy: -101.842
flat angles P-C4'-P energy: -74.160
tors. eta vs tors. theta energy: -103.360
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: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1420.591749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.591749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.591749 (E_RNA)
where:
Base-Base interactions energy: -947.641
where: short stacking energy: -425.874
Base-Backbone interact. energy: 0.314
local terms energy: -473.264467
where:
bonds (distance) C4'-P energy: -90.353
bonds (distance) P-C4' energy: -108.833
flat angles C4'-P-C4' energy: -110.071
flat angles P-C4'-P energy: -57.550
tors. eta vs tors. theta energy: -106.458
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: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1270.071339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.071339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.071339 (E_RNA)
where:
Base-Base interactions energy: -823.523
where: short stacking energy: -372.310
Base-Backbone interact. energy: -2.350
local terms energy: -444.198287
where:
bonds (distance) C4'-P energy: -92.037
bonds (distance) P-C4' energy: -94.547
flat angles C4'-P-C4' energy: -102.887
flat angles P-C4'-P energy: -68.282
tors. eta vs tors. theta energy: -86.445
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: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -1257.074726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.074726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.074726 (E_RNA)
where:
Base-Base interactions energy: -841.944
where: short stacking energy: -351.980
Base-Backbone interact. energy: -3.181
local terms energy: -411.949231
where:
bonds (distance) C4'-P energy: -105.495
bonds (distance) P-C4' energy: -79.233
flat angles C4'-P-C4' energy: -103.982
flat angles P-C4'-P energy: -52.089
tors. eta vs tors. theta energy: -71.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1160.539363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.539363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.539363 (E_RNA)
where:
Base-Base interactions energy: -766.972
where: short stacking energy: -347.813
Base-Backbone interact. energy: 3.637
local terms energy: -397.204503
where:
bonds (distance) C4'-P energy: -84.005
bonds (distance) P-C4' energy: -88.745
flat angles C4'-P-C4' energy: -108.182
flat angles P-C4'-P energy: -46.001
tors. eta vs tors. theta energy: -70.272
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: 9, replica: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -1051.796311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.796311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.796311 (E_RNA)
where:
Base-Base interactions energy: -675.342
where: short stacking energy: -299.206
Base-Backbone interact. energy: -0.600
local terms energy: -375.854602
where:
bonds (distance) C4'-P energy: -81.972
bonds (distance) P-C4' energy: -86.934
flat angles C4'-P-C4' energy: -91.448
flat angles P-C4'-P energy: -58.404
tors. eta vs tors. theta energy: -57.097
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: 20
Temperature: 1.350000
Total energy: -606.677787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.677787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.677787 (E_RNA)
where:
Base-Base interactions energy: -314.365
where: short stacking energy: -152.889
Base-Backbone interact. energy: -1.088
local terms energy: -291.225312
where:
bonds (distance) C4'-P energy: -90.845
bonds (distance) P-C4' energy: -92.475
flat angles C4'-P-C4' energy: -83.403
flat angles P-C4'-P energy: -41.689
tors. eta vs tors. theta energy: 17.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1697.404760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.404760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.404760 (E_RNA)
where:
Base-Base interactions energy: -1129.903
where: short stacking energy: -535.977
Base-Backbone interact. energy: -1.294
local terms energy: -566.207903
where:
bonds (distance) C4'-P energy: -104.644
bonds (distance) P-C4' energy: -100.339
flat angles C4'-P-C4' energy: -116.980
flat angles P-C4'-P energy: -85.309
tors. eta vs tors. theta energy: -158.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1531.868422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.868422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.868422 (E_RNA)
where:
Base-Base interactions energy: -995.477
where: short stacking energy: -481.270
Base-Backbone interact. energy: -2.632
local terms energy: -533.759339
where:
bonds (distance) C4'-P energy: -107.773
bonds (distance) P-C4' energy: -112.960
flat angles C4'-P-C4' energy: -109.988
flat angles P-C4'-P energy: -77.259
tors. eta vs tors. theta energy: -125.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1489.505802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.505802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.505802 (E_RNA)
where:
Base-Base interactions energy: -986.653
where: short stacking energy: -460.411
Base-Backbone interact. energy: 0.430
local terms energy: -503.282474
where:
bonds (distance) C4'-P energy: -97.646
bonds (distance) P-C4' energy: -103.104
flat angles C4'-P-C4' energy: -119.626
flat angles P-C4'-P energy: -66.890
tors. eta vs tors. theta energy: -116.016
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: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1472.590060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.590060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.590060 (E_RNA)
where:
Base-Base interactions energy: -959.403
where: short stacking energy: -455.458
Base-Backbone interact. energy: 0.044
local terms energy: -513.231408
where:
bonds (distance) C4'-P energy: -102.249
bonds (distance) P-C4' energy: -113.725
flat angles C4'-P-C4' energy: -107.612
flat angles P-C4'-P energy: -77.640
tors. eta vs tors. theta energy: -112.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1431.697141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.697141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.697141 (E_RNA)
where:
Base-Base interactions energy: -962.036
where: short stacking energy: -431.158
Base-Backbone interact. energy: -0.208
local terms energy: -469.452796
where:
bonds (distance) C4'-P energy: -92.587
bonds (distance) P-C4' energy: -94.222
flat angles C4'-P-C4' energy: -113.723
flat angles P-C4'-P energy: -58.670
tors. eta vs tors. theta energy: -110.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1248.202258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.202258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.202258 (E_RNA)
where:
Base-Base interactions energy: -804.993
where: short stacking energy: -382.419
Base-Backbone interact. energy: -0.966
local terms energy: -442.243037
where:
bonds (distance) C4'-P energy: -93.301
bonds (distance) P-C4' energy: -92.440
flat angles C4'-P-C4' energy: -86.640
flat angles P-C4'-P energy: -60.380
tors. eta vs tors. theta energy: -109.482
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: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1240.048239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.048239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.048239 (E_RNA)
where:
Base-Base interactions energy: -822.775
where: short stacking energy: -367.235
Base-Backbone interact. energy: 5.146
local terms energy: -422.418379
where:
bonds (distance) C4'-P energy: -83.109
bonds (distance) P-C4' energy: -93.792
flat angles C4'-P-C4' energy: -95.293
flat angles P-C4'-P energy: -63.386
tors. eta vs tors. theta energy: -86.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -1196.184769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.184769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.184769 (E_RNA)
where:
Base-Base interactions energy: -795.703
where: short stacking energy: -338.930
Base-Backbone interact. energy: 0.134
local terms energy: -400.615369
where:
bonds (distance) C4'-P energy: -78.456
bonds (distance) P-C4' energy: -89.769
flat angles C4'-P-C4' energy: -106.949
flat angles P-C4'-P energy: -60.684
tors. eta vs tors. theta energy: -64.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -1076.976643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.976643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.976643 (E_RNA)
where:
Base-Base interactions energy: -707.903
where: short stacking energy: -307.266
Base-Backbone interact. energy: -0.764
local terms energy: -368.309694
where:
bonds (distance) C4'-P energy: -69.580
bonds (distance) P-C4' energy: -105.396
flat angles C4'-P-C4' energy: -84.306
flat angles P-C4'-P energy: -54.239
tors. eta vs tors. theta energy: -54.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -614.437343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.437343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.437343 (E_RNA)
where:
Base-Base interactions energy: -307.735
where: short stacking energy: -179.066
Base-Backbone interact. energy: 0.905
local terms energy: -307.607213
where:
bonds (distance) C4'-P energy: -94.418
bonds (distance) P-C4' energy: -100.160
flat angles C4'-P-C4' energy: -74.953
flat angles P-C4'-P energy: -27.855
tors. eta vs tors. theta energy: -10.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1674.168065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.168065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.168065 (E_RNA)
where:
Base-Base interactions energy: -1089.471
where: short stacking energy: -539.097
Base-Backbone interact. energy: -0.801
local terms energy: -583.896570
where:
bonds (distance) C4'-P energy: -110.739
bonds (distance) P-C4' energy: -112.842
flat angles C4'-P-C4' energy: -133.297
flat angles P-C4'-P energy: -77.094
tors. eta vs tors. theta energy: -149.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1536.055383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.055383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.055383 (E_RNA)
where:
Base-Base interactions energy: -998.105
where: short stacking energy: -475.058
Base-Backbone interact. energy: 0.944
local terms energy: -538.894372
where:
bonds (distance) C4'-P energy: -104.879
bonds (distance) P-C4' energy: -113.373
flat angles C4'-P-C4' energy: -112.596
flat angles P-C4'-P energy: -79.284
tors. eta vs tors. theta energy: -128.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1544.316090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.316090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.316090 (E_RNA)
where:
Base-Base interactions energy: -1008.001
where: short stacking energy: -448.787
Base-Backbone interact. energy: 1.761
local terms energy: -538.076310
where:
bonds (distance) C4'-P energy: -97.980
bonds (distance) P-C4' energy: -107.439
flat angles C4'-P-C4' energy: -122.283
flat angles P-C4'-P energy: -80.845
tors. eta vs tors. theta energy: -129.529
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: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1465.641285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.641285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.641285 (E_RNA)
where:
Base-Base interactions energy: -967.306
where: short stacking energy: -446.134
Base-Backbone interact. energy: -3.011
local terms energy: -495.323788
where:
bonds (distance) C4'-P energy: -97.275
bonds (distance) P-C4' energy: -93.422
flat angles C4'-P-C4' energy: -106.808
flat angles P-C4'-P energy: -75.169
tors. eta vs tors. theta energy: -122.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1379.454668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.454668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.454668 (E_RNA)
where:
Base-Base interactions energy: -922.528
where: short stacking energy: -399.870
Base-Backbone interact. energy: 0.969
local terms energy: -457.896024
where:
bonds (distance) C4'-P energy: -102.820
bonds (distance) P-C4' energy: -89.492
flat angles C4'-P-C4' energy: -101.003
flat angles P-C4'-P energy: -62.523
tors. eta vs tors. theta energy: -102.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1227.197719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.197719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.197719 (E_RNA)
where:
Base-Base interactions energy: -764.078
where: short stacking energy: -354.521
Base-Backbone interact. energy: -2.606
local terms energy: -460.514134
where:
bonds (distance) C4'-P energy: -107.350
bonds (distance) P-C4' energy: -99.121
flat angles C4'-P-C4' energy: -99.959
flat angles P-C4'-P energy: -68.952
tors. eta vs tors. theta energy: -85.131
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: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -1252.177152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.177152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.177152 (E_RNA)
where:
Base-Base interactions energy: -822.324
where: short stacking energy: -369.985
Base-Backbone interact. energy: -1.542
local terms energy: -428.311180
where:
bonds (distance) C4'-P energy: -109.254
bonds (distance) P-C4' energy: -84.830
flat angles C4'-P-C4' energy: -98.109
flat angles P-C4'-P energy: -57.876
tors. eta vs tors. theta energy: -78.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1177.117102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.117102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.117102 (E_RNA)
where:
Base-Base interactions energy: -786.312
where: short stacking energy: -323.240
Base-Backbone interact. energy: 5.107
local terms energy: -395.912202
where:
bonds (distance) C4'-P energy: -93.127
bonds (distance) P-C4' energy: -98.616
flat angles C4'-P-C4' energy: -86.666
flat angles P-C4'-P energy: -64.181
tors. eta vs tors. theta energy: -53.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -1065.011414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.011414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.011414 (E_RNA)
where:
Base-Base interactions energy: -717.446
where: short stacking energy: -307.389
Base-Backbone interact. energy: -2.626
local terms energy: -344.939003
where:
bonds (distance) C4'-P energy: -65.030
bonds (distance) P-C4' energy: -77.674
flat angles C4'-P-C4' energy: -88.927
flat angles P-C4'-P energy: -62.750
tors. eta vs tors. theta energy: -50.558
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: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -605.890312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.890312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.890312 (E_RNA)
where:
Base-Base interactions energy: -317.245
where: short stacking energy: -170.785
Base-Backbone interact. energy: -1.930
local terms energy: -286.715498
where:
bonds (distance) C4'-P energy: -82.999
bonds (distance) P-C4' energy: -87.450
flat angles C4'-P-C4' energy: -69.811
flat angles P-C4'-P energy: -32.199
tors. eta vs tors. theta energy: -14.256
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: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1677.563537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.563537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.563537 (E_RNA)
where:
Base-Base interactions energy: -1138.173
where: short stacking energy: -551.663
Base-Backbone interact. energy: -4.020
local terms energy: -535.370831
where:
bonds (distance) C4'-P energy: -87.799
bonds (distance) P-C4' energy: -103.851
flat angles C4'-P-C4' energy: -115.738
flat angles P-C4'-P energy: -78.129
tors. eta vs tors. theta energy: -149.854
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: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1626.045172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.045172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.045172 (E_RNA)
where:
Base-Base interactions energy: -1091.150
where: short stacking energy: -486.756
Base-Backbone interact. energy: -2.849
local terms energy: -532.046173
where:
bonds (distance) C4'-P energy: -107.125
bonds (distance) P-C4' energy: -94.471
flat angles C4'-P-C4' energy: -124.086
flat angles P-C4'-P energy: -70.648
tors. eta vs tors. theta energy: -135.716
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: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1587.264896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.264896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.264896 (E_RNA)
where:
Base-Base interactions energy: -1055.928
where: short stacking energy: -481.336
Base-Backbone interact. energy: -1.608
local terms energy: -529.729687
where:
bonds (distance) C4'-P energy: -106.583
bonds (distance) P-C4' energy: -113.361
flat angles C4'-P-C4' energy: -108.422
flat angles P-C4'-P energy: -73.651
tors. eta vs tors. theta energy: -127.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1461.023657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.023657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.023657 (E_RNA)
where:
Base-Base interactions energy: -946.836
where: short stacking energy: -432.116
Base-Backbone interact. energy: -0.788
local terms energy: -513.399049
where:
bonds (distance) C4'-P energy: -93.472
bonds (distance) P-C4' energy: -115.415
flat angles C4'-P-C4' energy: -116.151
flat angles P-C4'-P energy: -77.291
tors. eta vs tors. theta energy: -111.070
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: 9
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1384.004509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.004509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.004509 (E_RNA)
where:
Base-Base interactions energy: -927.579
where: short stacking energy: -400.864
Base-Backbone interact. energy: 0.115
local terms energy: -456.540346
where:
bonds (distance) C4'-P energy: -96.200
bonds (distance) P-C4' energy: -98.716
flat angles C4'-P-C4' energy: -104.911
flat angles P-C4'-P energy: -72.042
tors. eta vs tors. theta energy: -84.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1294.779887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.779887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.779887 (E_RNA)
where:
Base-Base interactions energy: -850.590
where: short stacking energy: -362.682
Base-Backbone interact. energy: -3.705
local terms energy: -440.484760
where:
bonds (distance) C4'-P energy: -94.528
bonds (distance) P-C4' energy: -100.636
flat angles C4'-P-C4' energy: -99.405
flat angles P-C4'-P energy: -69.789
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: 7, replica: 3
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1226.976848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.976848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.976848 (E_RNA)
where:
Base-Base interactions energy: -783.717
where: short stacking energy: -339.271
Base-Backbone interact. energy: 0.266
local terms energy: -443.525792
where:
bonds (distance) C4'-P energy: -91.909
bonds (distance) P-C4' energy: -101.625
flat angles C4'-P-C4' energy: -103.554
flat angles P-C4'-P energy: -58.526
tors. eta vs tors. theta energy: -87.912
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: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1126.901850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.901850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.901850 (E_RNA)
where:
Base-Base interactions energy: -747.806
where: short stacking energy: -313.119
Base-Backbone interact. energy: -3.367
local terms energy: -375.728198
where:
bonds (distance) C4'-P energy: -83.152
bonds (distance) P-C4' energy: -88.575
flat angles C4'-P-C4' energy: -88.248
flat angles P-C4'-P energy: -62.028
tors. eta vs tors. theta energy: -53.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -1079.447174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.447174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.447174 (E_RNA)
where:
Base-Base interactions energy: -707.585
where: short stacking energy: -306.815
Base-Backbone interact. energy: 2.432
local terms energy: -374.293843
where:
bonds (distance) C4'-P energy: -77.365
bonds (distance) P-C4' energy: -88.002
flat angles C4'-P-C4' energy: -93.498
flat angles P-C4'-P energy: -45.780
tors. eta vs tors. theta energy: -69.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -597.816269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.816269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.816269 (E_RNA)
where:
Base-Base interactions energy: -312.643
where: short stacking energy: -166.858
Base-Backbone interact. energy: -1.220
local terms energy: -283.954080
where:
bonds (distance) C4'-P energy: -82.877
bonds (distance) P-C4' energy: -105.005
flat angles C4'-P-C4' energy: -60.065
flat angles P-C4'-P energy: -37.085
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: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1716.447593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.447593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.447593 (E_RNA)
where:
Base-Base interactions energy: -1142.099
where: short stacking energy: -551.929
Base-Backbone interact. energy: -2.557
local terms energy: -571.791535
where:
bonds (distance) C4'-P energy: -112.543
bonds (distance) P-C4' energy: -105.897
flat angles C4'-P-C4' energy: -118.517
flat angles P-C4'-P energy: -80.313
tors. eta vs tors. theta energy: -154.521
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: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1644.483328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.483328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.483328 (E_RNA)
where:
Base-Base interactions energy: -1120.371
where: short stacking energy: -501.642
Base-Backbone interact. energy: -0.579
local terms energy: -523.533629
where:
bonds (distance) C4'-P energy: -102.992
bonds (distance) P-C4' energy: -105.931
flat angles C4'-P-C4' energy: -110.785
flat angles P-C4'-P energy: -68.057
tors. eta vs tors. theta energy: -135.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1551.562951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.562951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.562951 (E_RNA)
where:
Base-Base interactions energy: -1039.780
where: short stacking energy: -479.904
Base-Backbone interact. energy: -2.050
local terms energy: -509.732884
where:
bonds (distance) C4'-P energy: -101.978
bonds (distance) P-C4' energy: -103.621
flat angles C4'-P-C4' energy: -106.512
flat angles P-C4'-P energy: -67.439
tors. eta vs tors. theta energy: -130.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1458.916043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.916043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.916043 (E_RNA)
where:
Base-Base interactions energy: -984.977
where: short stacking energy: -468.219
Base-Backbone interact. energy: 3.155
local terms energy: -477.093634
where:
bonds (distance) C4'-P energy: -92.892
bonds (distance) P-C4' energy: -90.727
flat angles C4'-P-C4' energy: -104.214
flat angles P-C4'-P energy: -70.182
tors. eta vs tors. theta energy: -119.079
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: 24
Temperature: 1.100000
Total energy: -1370.751719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.751719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.751719 (E_RNA)
where:
Base-Base interactions energy: -909.695
where: short stacking energy: -389.357
Base-Backbone interact. energy: 1.434
local terms energy: -462.490221
where:
bonds (distance) C4'-P energy: -91.556
bonds (distance) P-C4' energy: -95.579
flat angles C4'-P-C4' energy: -99.603
flat angles P-C4'-P energy: -80.768
tors. eta vs tors. theta energy: -94.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1290.514347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.514347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.514347 (E_RNA)
where:
Base-Base interactions energy: -862.044
where: short stacking energy: -372.981
Base-Backbone interact. energy: 0.191
local terms energy: -428.661758
where:
bonds (distance) C4'-P energy: -78.249
bonds (distance) P-C4' energy: -98.555
flat angles C4'-P-C4' energy: -98.539
flat angles P-C4'-P energy: -66.490
tors. eta vs tors. theta energy: -86.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1180.933442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.933442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.933442 (E_RNA)
where:
Base-Base interactions energy: -758.704
where: short stacking energy: -354.806
Base-Backbone interact. energy: 4.769
local terms energy: -426.998325
where:
bonds (distance) C4'-P energy: -97.615
bonds (distance) P-C4' energy: -102.127
flat angles C4'-P-C4' energy: -93.860
flat angles P-C4'-P energy: -58.510
tors. eta vs tors. theta energy: -74.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -1098.822887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.822887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.822887 (E_RNA)
where:
Base-Base interactions energy: -707.135
where: short stacking energy: -338.464
Base-Backbone interact. energy: -0.353
local terms energy: -391.335063
where:
bonds (distance) C4'-P energy: -72.982
bonds (distance) P-C4' energy: -99.575
flat angles C4'-P-C4' energy: -99.620
flat angles P-C4'-P energy: -50.080
tors. eta vs tors. theta energy: -69.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -1100.239646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.239646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.239646 (E_RNA)
where:
Base-Base interactions energy: -731.665
where: short stacking energy: -311.368
Base-Backbone interact. energy: -1.617
local terms energy: -366.958362
where:
bonds (distance) C4'-P energy: -70.618
bonds (distance) P-C4' energy: -92.615
flat angles C4'-P-C4' energy: -93.935
flat angles P-C4'-P energy: -39.933
tors. eta vs tors. theta energy: -69.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -593.279826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.279826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.279826 (E_RNA)
where:
Base-Base interactions energy: -302.023
where: short stacking energy: -164.550
Base-Backbone interact. energy: 3.859
local terms energy: -295.116109
where:
bonds (distance) C4'-P energy: -72.802
bonds (distance) P-C4' energy: -103.688
flat angles C4'-P-C4' energy: -85.335
flat angles P-C4'-P energy: -38.647
tors. eta vs tors. theta energy: 5.356
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: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1723.092312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.092312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.092312 (E_RNA)
where:
Base-Base interactions energy: -1141.646
where: short stacking energy: -538.147
Base-Backbone interact. energy: -2.134
local terms energy: -579.312555
where:
bonds (distance) C4'-P energy: -111.066
bonds (distance) P-C4' energy: -104.660
flat angles C4'-P-C4' energy: -124.676
flat angles P-C4'-P energy: -81.874
tors. eta vs tors. theta energy: -157.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1662.366753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.366753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.366753 (E_RNA)
where:
Base-Base interactions energy: -1113.150
where: short stacking energy: -504.274
Base-Backbone interact. energy: -2.114
local terms energy: -547.102348
where:
bonds (distance) C4'-P energy: -101.433
bonds (distance) P-C4' energy: -100.405
flat angles C4'-P-C4' energy: -115.570
flat angles P-C4'-P energy: -86.168
tors. eta vs tors. theta energy: -143.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1540.656350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.656350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.656350 (E_RNA)
where:
Base-Base interactions energy: -1019.934
where: short stacking energy: -467.991
Base-Backbone interact. energy: -4.996
local terms energy: -515.726899
where:
bonds (distance) C4'-P energy: -99.933
bonds (distance) P-C4' energy: -105.834
flat angles C4'-P-C4' energy: -113.560
flat angles P-C4'-P energy: -68.162
tors. eta vs tors. theta energy: -128.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1476.432924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.432924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.432924 (E_RNA)
where:
Base-Base interactions energy: -980.019
where: short stacking energy: -445.698
Base-Backbone interact. energy: -2.808
local terms energy: -493.606075
where:
bonds (distance) C4'-P energy: -100.331
bonds (distance) P-C4' energy: -103.702
flat angles C4'-P-C4' energy: -114.411
flat angles P-C4'-P energy: -70.783
tors. eta vs tors. theta energy: -104.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1393.490649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.490649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.490649 (E_RNA)
where:
Base-Base interactions energy: -929.846
where: short stacking energy: -426.001
Base-Backbone interact. energy: -2.269
local terms energy: -461.375455
where:
bonds (distance) C4'-P energy: -95.144
bonds (distance) P-C4' energy: -96.068
flat angles C4'-P-C4' energy: -105.723
flat angles P-C4'-P energy: -67.591
tors. eta vs tors. theta energy: -96.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1308.688722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.688722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.688722 (E_RNA)
where:
Base-Base interactions energy: -826.434
where: short stacking energy: -379.721
Base-Backbone interact. energy: -1.769
local terms energy: -480.486417
where:
bonds (distance) C4'-P energy: -104.094
bonds (distance) P-C4' energy: -101.179
flat angles C4'-P-C4' energy: -104.460
flat angles P-C4'-P energy: -82.096
tors. eta vs tors. theta energy: -88.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1242.765175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.765175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.765175 (E_RNA)
where:
Base-Base interactions energy: -795.824
where: short stacking energy: -374.121
Base-Backbone interact. energy: 0.016
local terms energy: -446.957304
where:
bonds (distance) C4'-P energy: -98.423
bonds (distance) P-C4' energy: -95.076
flat angles C4'-P-C4' energy: -109.961
flat angles P-C4'-P energy: -61.674
tors. eta vs tors. theta energy: -81.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -1222.679747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.679747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.679747 (E_RNA)
where:
Base-Base interactions energy: -835.551
where: short stacking energy: -354.292
Base-Backbone interact. energy: -0.137
local terms energy: -386.991354
where:
bonds (distance) C4'-P energy: -80.066
bonds (distance) P-C4' energy: -82.312
flat angles C4'-P-C4' energy: -90.266
flat angles P-C4'-P energy: -52.396
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: 9, replica: 3
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -1077.491646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.491646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.491646 (E_RNA)
where:
Base-Base interactions energy: -689.954
where: short stacking energy: -318.755
Base-Backbone interact. energy: -2.515
local terms energy: -385.022647
where:
bonds (distance) C4'-P energy: -86.591
bonds (distance) P-C4' energy: -83.401
flat angles C4'-P-C4' energy: -94.500
flat angles P-C4'-P energy: -41.363
tors. eta vs tors. theta energy: -79.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -600.480657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.480657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.480657 (E_RNA)
where:
Base-Base interactions energy: -285.031
where: short stacking energy: -155.453
Base-Backbone interact. energy: -1.351
local terms energy: -314.097975
where:
bonds (distance) C4'-P energy: -79.545
bonds (distance) P-C4' energy: -96.674
flat angles C4'-P-C4' energy: -85.178
flat angles P-C4'-P energy: -45.576
tors. eta vs tors. theta energy: -7.125
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: 1, replica: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1717.797668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.797668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.797668 (E_RNA)
where:
Base-Base interactions energy: -1128.716
where: short stacking energy: -532.376
Base-Backbone interact. energy: -1.226
local terms energy: -587.855498
where:
bonds (distance) C4'-P energy: -122.074
bonds (distance) P-C4' energy: -119.747
flat angles C4'-P-C4' energy: -116.132
flat angles P-C4'-P energy: -84.194
tors. eta vs tors. theta energy: -145.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1643.267719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.267719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.267719 (E_RNA)
where:
Base-Base interactions energy: -1114.883
where: short stacking energy: -495.586
Base-Backbone interact. energy: 0.365
local terms energy: -528.749969
where:
bonds (distance) C4'-P energy: -99.969
bonds (distance) P-C4' energy: -109.450
flat angles C4'-P-C4' energy: -116.178
flat angles P-C4'-P energy: -66.290
tors. eta vs tors. theta energy: -136.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1523.957726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.957726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.957726 (E_RNA)
where:
Base-Base interactions energy: -989.604
where: short stacking energy: -462.011
Base-Backbone interact. energy: -1.647
local terms energy: -532.706539
where:
bonds (distance) C4'-P energy: -102.404
bonds (distance) P-C4' energy: -112.099
flat angles C4'-P-C4' energy: -120.043
flat angles P-C4'-P energy: -77.885
tors. eta vs tors. theta energy: -120.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1437.062433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.062433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.062433 (E_RNA)
where:
Base-Base interactions energy: -959.130
where: short stacking energy: -414.865
Base-Backbone interact. energy: -0.697
local terms energy: -477.235046
where:
bonds (distance) C4'-P energy: -97.874
bonds (distance) P-C4' energy: -102.385
flat angles C4'-P-C4' energy: -114.834
flat angles P-C4'-P energy: -59.237
tors. eta vs tors. theta energy: -102.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1318.113292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.113292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.113292 (E_RNA)
where:
Base-Base interactions energy: -869.173
where: short stacking energy: -387.015
Base-Backbone interact. energy: -2.772
local terms energy: -446.168463
where:
bonds (distance) C4'-P energy: -88.876
bonds (distance) P-C4' energy: -105.781
flat angles C4'-P-C4' energy: -102.865
flat angles P-C4'-P energy: -61.078
tors. eta vs tors. theta energy: -87.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1329.823146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.823146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.823146 (E_RNA)
where:
Base-Base interactions energy: -898.509
where: short stacking energy: -393.561
Base-Backbone interact. energy: -0.312
local terms energy: -431.002344
where:
bonds (distance) C4'-P energy: -82.241
bonds (distance) P-C4' energy: -92.934
flat angles C4'-P-C4' energy: -100.657
flat angles P-C4'-P energy: -70.233
tors. eta vs tors. theta energy: -84.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1245.224315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.224315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.224315 (E_RNA)
where:
Base-Base interactions energy: -803.174
where: short stacking energy: -354.278
Base-Backbone interact. energy: -2.032
local terms energy: -440.018480
where:
bonds (distance) C4'-P energy: -95.260
bonds (distance) P-C4' energy: -94.978
flat angles C4'-P-C4' energy: -96.444
flat angles P-C4'-P energy: -77.742
tors. eta vs tors. theta energy: -75.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -1134.000841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.000841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.000841 (E_RNA)
where:
Base-Base interactions energy: -764.959
where: short stacking energy: -335.456
Base-Backbone interact. energy: -5.952
local terms energy: -363.090461
where:
bonds (distance) C4'-P energy: -62.118
bonds (distance) P-C4' energy: -78.555
flat angles C4'-P-C4' energy: -97.872
flat angles P-C4'-P energy: -61.063
tors. eta vs tors. theta energy: -63.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -1032.060649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.060649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.060649 (E_RNA)
where:
Base-Base interactions energy: -652.836
where: short stacking energy: -293.477
Base-Backbone interact. energy: -0.266
local terms energy: -378.958527
where:
bonds (distance) C4'-P energy: -88.805
bonds (distance) P-C4' energy: -98.049
flat angles C4'-P-C4' energy: -80.424
flat angles P-C4'-P energy: -54.267
tors. eta vs tors. theta energy: -57.413
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: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -602.708304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.708304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.708304 (E_RNA)
where:
Base-Base interactions energy: -288.012
where: short stacking energy: -156.662
Base-Backbone interact. energy: -1.275
local terms energy: -313.421372
where:
bonds (distance) C4'-P energy: -101.285
bonds (distance) P-C4' energy: -78.143
flat angles C4'-P-C4' energy: -91.857
flat angles P-C4'-P energy: -53.040
tors. eta vs tors. theta energy: 10.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1712.514187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.514187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.514187 (E_RNA)
where:
Base-Base interactions energy: -1152.678
where: short stacking energy: -521.984
Base-Backbone interact. energy: -5.767
local terms energy: -554.069440
where:
bonds (distance) C4'-P energy: -89.258
bonds (distance) P-C4' energy: -107.771
flat angles C4'-P-C4' energy: -121.607
flat angles P-C4'-P energy: -84.457
tors. eta vs tors. theta energy: -150.976
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: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1635.234703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.234703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.234703 (E_RNA)
where:
Base-Base interactions energy: -1098.991
where: short stacking energy: -506.751
Base-Backbone interact. energy: -0.973
local terms energy: -535.270547
where:
bonds (distance) C4'-P energy: -99.766
bonds (distance) P-C4' energy: -108.811
flat angles C4'-P-C4' energy: -117.397
flat angles P-C4'-P energy: -73.086
tors. eta vs tors. theta energy: -136.210
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: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1493.937820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.937820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.937820 (E_RNA)
where:
Base-Base interactions energy: -973.819
where: short stacking energy: -435.566
Base-Backbone interact. energy: -0.534
local terms energy: -519.584809
where:
bonds (distance) C4'-P energy: -113.489
bonds (distance) P-C4' energy: -101.729
flat angles C4'-P-C4' energy: -114.046
flat angles P-C4'-P energy: -81.822
tors. eta vs tors. theta energy: -108.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1447.855363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.855363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.855363 (E_RNA)
where:
Base-Base interactions energy: -956.216
where: short stacking energy: -425.572
Base-Backbone interact. energy: -2.321
local terms energy: -489.318628
where:
bonds (distance) C4'-P energy: -97.232
bonds (distance) P-C4' energy: -99.573
flat angles C4'-P-C4' energy: -112.922
flat angles P-C4'-P energy: -68.012
tors. eta vs tors. theta energy: -111.579
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: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1367.332467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.332467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.332467 (E_RNA)
where:
Base-Base interactions energy: -864.145
where: short stacking energy: -376.957
Base-Backbone interact. energy: -1.809
local terms energy: -501.378779
where:
bonds (distance) C4'-P energy: -95.539
bonds (distance) P-C4' energy: -111.538
flat angles C4'-P-C4' energy: -113.637
flat angles P-C4'-P energy: -74.948
tors. eta vs tors. theta energy: -105.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1304.423172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.423172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.423172 (E_RNA)
where:
Base-Base interactions energy: -841.625
where: short stacking energy: -360.334
Base-Backbone interact. energy: -1.213
local terms energy: -461.585294
where:
bonds (distance) C4'-P energy: -92.071
bonds (distance) P-C4' energy: -103.245
flat angles C4'-P-C4' energy: -104.924
flat angles P-C4'-P energy: -65.226
tors. eta vs tors. theta energy: -96.119
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: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1243.607980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.607980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.607980 (E_RNA)
where:
Base-Base interactions energy: -826.613
where: short stacking energy: -380.450
Base-Backbone interact. energy: -0.867
local terms energy: -416.128304
where:
bonds (distance) C4'-P energy: -88.050
bonds (distance) P-C4' energy: -83.954
flat angles C4'-P-C4' energy: -91.133
flat angles P-C4'-P energy: -67.641
tors. eta vs tors. theta energy: -85.351
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: 8, replica: 3
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -1066.234209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.234209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.234209 (E_RNA)
where:
Base-Base interactions energy: -665.585
where: short stacking energy: -303.101
Base-Backbone interact. energy: -2.137
local terms energy: -398.511835
where:
bonds (distance) C4'-P energy: -88.023
bonds (distance) P-C4' energy: -97.964
flat angles C4'-P-C4' energy: -93.755
flat angles P-C4'-P energy: -57.192
tors. eta vs tors. theta energy: -61.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -1111.066771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.066771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.066771 (E_RNA)
where:
Base-Base interactions energy: -715.542
where: short stacking energy: -310.938
Base-Backbone interact. energy: -2.043
local terms energy: -393.481591
where:
bonds (distance) C4'-P energy: -84.213
bonds (distance) P-C4' energy: -82.971
flat angles C4'-P-C4' energy: -94.060
flat angles P-C4'-P energy: -60.486
tors. eta vs tors. theta energy: -71.751
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: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -620.226958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.226958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.226958 (E_RNA)
where:
Base-Base interactions energy: -319.844
where: short stacking energy: -153.771
Base-Backbone interact. energy: 3.428
local terms energy: -303.811269
where:
bonds (distance) C4'-P energy: -83.753
bonds (distance) P-C4' energy: -109.397
flat angles C4'-P-C4' energy: -77.612
flat angles P-C4'-P energy: -33.562
tors. eta vs tors. theta energy: 0.513
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: 1, replica: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1693.987724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.987724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.987724 (E_RNA)
where:
Base-Base interactions energy: -1131.524
where: short stacking energy: -539.034
Base-Backbone interact. energy: -2.067
local terms energy: -560.397551
where:
bonds (distance) C4'-P energy: -109.019
bonds (distance) P-C4' energy: -107.636
flat angles C4'-P-C4' energy: -110.242
flat angles P-C4'-P energy: -81.583
tors. eta vs tors. theta energy: -151.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1659.291229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.291229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.291229 (E_RNA)
where:
Base-Base interactions energy: -1117.577
where: short stacking energy: -514.572
Base-Backbone interact. energy: -2.189
local terms energy: -539.525006
where:
bonds (distance) C4'-P energy: -94.148
bonds (distance) P-C4' energy: -102.239
flat angles C4'-P-C4' energy: -114.278
flat angles P-C4'-P energy: -83.208
tors. eta vs tors. theta energy: -145.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1516.966112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.966112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.966112 (E_RNA)
where:
Base-Base interactions energy: -987.537
where: short stacking energy: -458.903
Base-Backbone interact. energy: -0.857
local terms energy: -528.572293
where:
bonds (distance) C4'-P energy: -108.689
bonds (distance) P-C4' energy: -116.664
flat angles C4'-P-C4' energy: -112.197
flat angles P-C4'-P energy: -74.793
tors. eta vs tors. theta energy: -116.229
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: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1444.931204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.931204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.931204 (E_RNA)
where:
Base-Base interactions energy: -950.645
where: short stacking energy: -416.124
Base-Backbone interact. energy: 1.321
local terms energy: -495.607989
where:
bonds (distance) C4'-P energy: -92.102
bonds (distance) P-C4' energy: -93.565
flat angles C4'-P-C4' energy: -128.179
flat angles P-C4'-P energy: -69.126
tors. eta vs tors. theta energy: -112.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1338.710345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.710345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.710345 (E_RNA)
where:
Base-Base interactions energy: -885.986
where: short stacking energy: -388.210
Base-Backbone interact. energy: -2.972
local terms energy: -449.752281
where:
bonds (distance) C4'-P energy: -80.088
bonds (distance) P-C4' energy: -105.847
flat angles C4'-P-C4' energy: -105.024
flat angles P-C4'-P energy: -59.287
tors. eta vs tors. theta energy: -99.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1296.121592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.121592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.121592 (E_RNA)
where:
Base-Base interactions energy: -847.405
where: short stacking energy: -378.799
Base-Backbone interact. energy: -1.419
local terms energy: -447.297442
where:
bonds (distance) C4'-P energy: -101.424
bonds (distance) P-C4' energy: -85.871
flat angles C4'-P-C4' energy: -101.239
flat angles P-C4'-P energy: -62.373
tors. eta vs tors. theta energy: -96.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1278.961654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.961654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.961654 (E_RNA)
where:
Base-Base interactions energy: -832.192
where: short stacking energy: -380.665
Base-Backbone interact. energy: 1.423
local terms energy: -448.192936
where:
bonds (distance) C4'-P energy: -80.702
bonds (distance) P-C4' energy: -100.203
flat angles C4'-P-C4' energy: -108.749
flat angles P-C4'-P energy: -66.131
tors. eta vs tors. theta energy: -92.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1081.267699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.267699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.267699 (E_RNA)
where:
Base-Base interactions energy: -683.407
where: short stacking energy: -290.357
Base-Backbone interact. energy: -1.272
local terms energy: -396.587983
where:
bonds (distance) C4'-P energy: -88.717
bonds (distance) P-C4' energy: -98.009
flat angles C4'-P-C4' energy: -102.579
flat angles P-C4'-P energy: -62.476
tors. eta vs tors. theta energy: -44.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -1063.095650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.095650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.095650 (E_RNA)
where:
Base-Base interactions energy: -674.157
where: short stacking energy: -301.287
Base-Backbone interact. energy: -0.704
local terms energy: -388.234434
where:
bonds (distance) C4'-P energy: -97.925
bonds (distance) P-C4' energy: -81.259
flat angles C4'-P-C4' energy: -85.193
flat angles P-C4'-P energy: -60.228
tors. eta vs tors. theta energy: -63.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -654.979366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.979366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.979366 (E_RNA)
where:
Base-Base interactions energy: -354.088
where: short stacking energy: -168.973
Base-Backbone interact. energy: -0.799
local terms energy: -300.093081
where:
bonds (distance) C4'-P energy: -95.325
bonds (distance) P-C4' energy: -74.158
flat angles C4'-P-C4' energy: -90.077
flat angles P-C4'-P energy: -39.204
tors. eta vs tors. theta energy: -1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1673.163414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.163414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.163414 (E_RNA)
where:
Base-Base interactions energy: -1128.346
where: short stacking energy: -518.716
Base-Backbone interact. energy: -2.295
local terms energy: -542.521973
where:
bonds (distance) C4'-P energy: -106.641
bonds (distance) P-C4' energy: -94.111
flat angles C4'-P-C4' energy: -119.363
flat angles P-C4'-P energy: -76.794
tors. eta vs tors. theta energy: -145.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1663.617837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.617837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.617837 (E_RNA)
where:
Base-Base interactions energy: -1144.368
where: short stacking energy: -526.962
Base-Backbone interact. energy: -1.077
local terms energy: -518.172416
where:
bonds (distance) C4'-P energy: -93.706
bonds (distance) P-C4' energy: -106.667
flat angles C4'-P-C4' energy: -108.577
flat angles P-C4'-P energy: -66.398
tors. eta vs tors. theta energy: -142.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1510.156886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.156886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.156886 (E_RNA)
where:
Base-Base interactions energy: -997.571
where: short stacking energy: -457.266
Base-Backbone interact. energy: -0.084
local terms energy: -512.502477
where:
bonds (distance) C4'-P energy: -102.658
bonds (distance) P-C4' energy: -107.438
flat angles C4'-P-C4' energy: -114.904
flat angles P-C4'-P energy: -69.486
tors. eta vs tors. theta energy: -118.016
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: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1468.090960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.090960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.090960 (E_RNA)
where:
Base-Base interactions energy: -981.110
where: short stacking energy: -452.102
Base-Backbone interact. energy: -1.492
local terms energy: -485.489428
where:
bonds (distance) C4'-P energy: -96.377
bonds (distance) P-C4' energy: -100.067
flat angles C4'-P-C4' energy: -112.091
flat angles P-C4'-P energy: -54.779
tors. eta vs tors. theta energy: -122.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1370.187070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.187070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.187070 (E_RNA)
where:
Base-Base interactions energy: -881.567
where: short stacking energy: -372.103
Base-Backbone interact. energy: -2.847
local terms energy: -485.773215
where:
bonds (distance) C4'-P energy: -99.217
bonds (distance) P-C4' energy: -98.498
flat angles C4'-P-C4' energy: -113.827
flat angles P-C4'-P energy: -74.108
tors. eta vs tors. theta energy: -100.123
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: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1296.542279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.542279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.542279 (E_RNA)
where:
Base-Base interactions energy: -854.637
where: short stacking energy: -384.189
Base-Backbone interact. energy: -0.045
local terms energy: -441.859704
where:
bonds (distance) C4'-P energy: -94.943
bonds (distance) P-C4' energy: -97.035
flat angles C4'-P-C4' energy: -104.635
flat angles P-C4'-P energy: -61.190
tors. eta vs tors. theta energy: -84.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1238.105357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.105357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.105357 (E_RNA)
where:
Base-Base interactions energy: -823.090
where: short stacking energy: -350.683
Base-Backbone interact. energy: -1.200
local terms energy: -413.815156
where:
bonds (distance) C4'-P energy: -87.145
bonds (distance) P-C4' energy: -89.645
flat angles C4'-P-C4' energy: -97.290
flat angles P-C4'-P energy: -61.926
tors. eta vs tors. theta energy: -77.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -1052.157136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.157136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.157136 (E_RNA)
where:
Base-Base interactions energy: -663.892
where: short stacking energy: -281.922
Base-Backbone interact. energy: -0.257
local terms energy: -388.008935
where:
bonds (distance) C4'-P energy: -106.632
bonds (distance) P-C4' energy: -84.675
flat angles C4'-P-C4' energy: -83.566
flat angles P-C4'-P energy: -53.343
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: 9, replica: 3
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -1034.022372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.022372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.022372 (E_RNA)
where:
Base-Base interactions energy: -664.205
where: short stacking energy: -323.707
Base-Backbone interact. energy: 4.374
local terms energy: -374.191149
where:
bonds (distance) C4'-P energy: -96.676
bonds (distance) P-C4' energy: -84.151
flat angles C4'-P-C4' energy: -95.468
flat angles P-C4'-P energy: -34.091
tors. eta vs tors. theta energy: -63.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -648.954279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.954279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.954279 (E_RNA)
where:
Base-Base interactions energy: -352.719
where: short stacking energy: -191.925
Base-Backbone interact. energy: 6.130
local terms energy: -302.365035
where:
bonds (distance) C4'-P energy: -74.361
bonds (distance) P-C4' energy: -99.025
flat angles C4'-P-C4' energy: -88.182
flat angles P-C4'-P energy: -41.078
tors. eta vs tors. theta energy: 0.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1695.950059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.950059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.950059 (E_RNA)
where:
Base-Base interactions energy: -1145.012
where: short stacking energy: -533.076
Base-Backbone interact. energy: -0.836
local terms energy: -550.101923
where:
bonds (distance) C4'-P energy: -110.643
bonds (distance) P-C4' energy: -105.486
flat angles C4'-P-C4' energy: -113.504
flat angles P-C4'-P energy: -71.499
tors. eta vs tors. theta energy: -148.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1632.710462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.710462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.710462 (E_RNA)
where:
Base-Base interactions energy: -1101.694
where: short stacking energy: -487.873
Base-Backbone interact. energy: -2.067
local terms energy: -528.949424
where:
bonds (distance) C4'-P energy: -100.019
bonds (distance) P-C4' energy: -106.694
flat angles C4'-P-C4' energy: -116.237
flat angles P-C4'-P energy: -71.471
tors. eta vs tors. theta energy: -134.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1528.236078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.236078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.236078 (E_RNA)
where:
Base-Base interactions energy: -997.217
where: short stacking energy: -454.964
Base-Backbone interact. energy: 3.895
local terms energy: -534.914644
where:
bonds (distance) C4'-P energy: -107.750
bonds (distance) P-C4' energy: -113.033
flat angles C4'-P-C4' energy: -114.923
flat angles P-C4'-P energy: -77.427
tors. eta vs tors. theta energy: -121.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1479.746398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.746398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.746398 (E_RNA)
where:
Base-Base interactions energy: -983.645
where: short stacking energy: -461.424
Base-Backbone interact. energy: 1.014
local terms energy: -497.114678
where:
bonds (distance) C4'-P energy: -96.314
bonds (distance) P-C4' energy: -95.932
flat angles C4'-P-C4' energy: -112.980
flat angles P-C4'-P energy: -70.049
tors. eta vs tors. theta energy: -121.839
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: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1391.091924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.091924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.091924 (E_RNA)
where:
Base-Base interactions energy: -931.541
where: short stacking energy: -391.693
Base-Backbone interact. energy: -2.542
local terms energy: -457.008992
where:
bonds (distance) C4'-P energy: -74.645
bonds (distance) P-C4' energy: -108.044
flat angles C4'-P-C4' energy: -107.785
flat angles P-C4'-P energy: -68.458
tors. eta vs tors. theta energy: -98.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1340.349981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.349981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.349981 (E_RNA)
where:
Base-Base interactions energy: -893.300
where: short stacking energy: -391.707
Base-Backbone interact. energy: 0.903
local terms energy: -447.953149
where:
bonds (distance) C4'-P energy: -89.137
bonds (distance) P-C4' energy: -110.164
flat angles C4'-P-C4' energy: -102.450
flat angles P-C4'-P energy: -55.456
tors. eta vs tors. theta energy: -90.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1215.915194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.915194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.915194 (E_RNA)
where:
Base-Base interactions energy: -807.234
where: short stacking energy: -343.675
Base-Backbone interact. energy: 0.166
local terms energy: -408.847159
where:
bonds (distance) C4'-P energy: -101.157
bonds (distance) P-C4' energy: -97.517
flat angles C4'-P-C4' energy: -85.627
flat angles P-C4'-P energy: -52.226
tors. eta vs tors. theta energy: -72.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1109.157767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.157767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.157767 (E_RNA)
where:
Base-Base interactions energy: -724.425
where: short stacking energy: -301.059
Base-Backbone interact. energy: 1.862
local terms energy: -386.594730
where:
bonds (distance) C4'-P energy: -88.013
bonds (distance) P-C4' energy: -80.949
flat angles C4'-P-C4' energy: -104.306
flat angles P-C4'-P energy: -66.401
tors. eta vs tors. theta energy: -46.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -1004.572227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.572227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.572227 (E_RNA)
where:
Base-Base interactions energy: -638.546
where: short stacking energy: -270.771
Base-Backbone interact. energy: -2.436
local terms energy: -363.589844
where:
bonds (distance) C4'-P energy: -92.641
bonds (distance) P-C4' energy: -87.785
flat angles C4'-P-C4' energy: -84.713
flat angles P-C4'-P energy: -36.557
tors. eta vs tors. theta energy: -61.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -646.331973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.331973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.331973 (E_RNA)
where:
Base-Base interactions energy: -350.627
where: short stacking energy: -183.501
Base-Backbone interact. energy: -3.355
local terms energy: -292.349935
where:
bonds (distance) C4'-P energy: -79.901
bonds (distance) P-C4' energy: -81.233
flat angles C4'-P-C4' energy: -67.425
flat angles P-C4'-P energy: -46.659
tors. eta vs tors. theta energy: -17.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1702.721066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.721066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.721066 (E_RNA)
where:
Base-Base interactions energy: -1115.578
where: short stacking energy: -519.821
Base-Backbone interact. energy: -1.917
local terms energy: -585.226031
where:
bonds (distance) C4'-P energy: -115.434
bonds (distance) P-C4' energy: -114.268
flat angles C4'-P-C4' energy: -117.963
flat angles P-C4'-P energy: -91.618
tors. eta vs tors. theta energy: -145.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1650.735399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.735399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.735399 (E_RNA)
where:
Base-Base interactions energy: -1109.376
where: short stacking energy: -500.939
Base-Backbone interact. energy: -2.364
local terms energy: -538.995307
where:
bonds (distance) C4'-P energy: -102.900
bonds (distance) P-C4' energy: -120.470
flat angles C4'-P-C4' energy: -112.557
flat angles P-C4'-P energy: -66.661
tors. eta vs tors. theta energy: -136.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1517.136346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.136346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.136346 (E_RNA)
where:
Base-Base interactions energy: -1002.640
where: short stacking energy: -455.642
Base-Backbone interact. energy: -2.510
local terms energy: -511.986317
where:
bonds (distance) C4'-P energy: -104.830
bonds (distance) P-C4' energy: -95.288
flat angles C4'-P-C4' energy: -109.031
flat angles P-C4'-P energy: -76.070
tors. eta vs tors. theta energy: -126.767
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: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1485.319152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.319152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.319152 (E_RNA)
where:
Base-Base interactions energy: -980.193
where: short stacking energy: -433.243
Base-Backbone interact. energy: -1.492
local terms energy: -503.633749
where:
bonds (distance) C4'-P energy: -90.246
bonds (distance) P-C4' energy: -117.508
flat angles C4'-P-C4' energy: -97.079
flat angles P-C4'-P energy: -80.057
tors. eta vs tors. theta energy: -118.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1394.730597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.730597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.730597 (E_RNA)
where:
Base-Base interactions energy: -944.352
where: short stacking energy: -422.233
Base-Backbone interact. energy: 1.213
local terms energy: -451.591057
where:
bonds (distance) C4'-P energy: -97.227
bonds (distance) P-C4' energy: -87.846
flat angles C4'-P-C4' energy: -105.362
flat angles P-C4'-P energy: -56.212
tors. eta vs tors. theta energy: -104.944
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: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1346.936869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.936869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.936869 (E_RNA)
where:
Base-Base interactions energy: -896.408
where: short stacking energy: -386.871
Base-Backbone interact. energy: 0.380
local terms energy: -450.908552
where:
bonds (distance) C4'-P energy: -76.979
bonds (distance) P-C4' energy: -92.013
flat angles C4'-P-C4' energy: -103.879
flat angles P-C4'-P energy: -78.032
tors. eta vs tors. theta energy: -100.005
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: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1228.564000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.564000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.564000 (E_RNA)
where:
Base-Base interactions energy: -799.581
where: short stacking energy: -344.933
Base-Backbone interact. energy: -1.687
local terms energy: -427.296035
where:
bonds (distance) C4'-P energy: -106.396
bonds (distance) P-C4' energy: -95.002
flat angles C4'-P-C4' energy: -91.521
flat angles P-C4'-P energy: -62.578
tors. eta vs tors. theta energy: -71.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1113.141962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.141962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.141962 (E_RNA)
where:
Base-Base interactions energy: -728.683
where: short stacking energy: -327.216
Base-Backbone interact. energy: 2.649
local terms energy: -387.107590
where:
bonds (distance) C4'-P energy: -85.437
bonds (distance) P-C4' energy: -92.949
flat angles C4'-P-C4' energy: -85.349
flat angles P-C4'-P energy: -50.814
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: 9, replica: 3
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -932.458316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.458316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.458316 (E_RNA)
where:
Base-Base interactions energy: -551.062
where: short stacking energy: -243.664
Base-Backbone interact. energy: 0.260
local terms energy: -381.656195
where:
bonds (distance) C4'-P energy: -95.476
bonds (distance) P-C4' energy: -89.663
flat angles C4'-P-C4' energy: -91.212
flat angles P-C4'-P energy: -69.342
tors. eta vs tors. theta energy: -35.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -656.218214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.218214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.218214 (E_RNA)
where:
Base-Base interactions energy: -333.420
where: short stacking energy: -172.243
Base-Backbone interact. energy: 0.141
local terms energy: -322.939423
where:
bonds (distance) C4'-P energy: -77.076
bonds (distance) P-C4' energy: -93.045
flat angles C4'-P-C4' energy: -86.568
flat angles P-C4'-P energy: -47.971
tors. eta vs tors. theta energy: -18.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1712.360447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.360447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.360447 (E_RNA)
where:
Base-Base interactions energy: -1123.820
where: short stacking energy: -524.558
Base-Backbone interact. energy: -1.605
local terms energy: -586.935389
where:
bonds (distance) C4'-P energy: -111.092
bonds (distance) P-C4' energy: -118.588
flat angles C4'-P-C4' energy: -120.694
flat angles P-C4'-P energy: -81.790
tors. eta vs tors. theta energy: -154.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1669.473821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.473821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.473821 (E_RNA)
where:
Base-Base interactions energy: -1118.801
where: short stacking energy: -505.100
Base-Backbone interact. energy: -1.385
local terms energy: -549.287469
where:
bonds (distance) C4'-P energy: -101.659
bonds (distance) P-C4' energy: -110.498
flat angles C4'-P-C4' energy: -128.342
flat angles P-C4'-P energy: -63.511
tors. eta vs tors. theta energy: -145.278
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: 32
Temperature: 1.000000
Total energy: -1539.535319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.535319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.535319 (E_RNA)
where:
Base-Base interactions energy: -1021.917
where: short stacking energy: -443.420
Base-Backbone interact. energy: 0.032
local terms energy: -517.650446
where:
bonds (distance) C4'-P energy: -107.337
bonds (distance) P-C4' energy: -95.887
flat angles C4'-P-C4' energy: -123.416
flat angles P-C4'-P energy: -75.078
tors. eta vs tors. theta energy: -115.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1413.676620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.676620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.676620 (E_RNA)
where:
Base-Base interactions energy: -913.788
where: short stacking energy: -430.168
Base-Backbone interact. energy: -1.889
local terms energy: -497.999757
where:
bonds (distance) C4'-P energy: -99.207
bonds (distance) P-C4' energy: -101.042
flat angles C4'-P-C4' energy: -108.793
flat angles P-C4'-P energy: -74.503
tors. eta vs tors. theta energy: -114.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1387.051244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.051244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.051244 (E_RNA)
where:
Base-Base interactions energy: -911.670
where: short stacking energy: -394.641
Base-Backbone interact. energy: -1.988
local terms energy: -473.393368
where:
bonds (distance) C4'-P energy: -97.881
bonds (distance) P-C4' energy: -96.409
flat angles C4'-P-C4' energy: -116.071
flat angles P-C4'-P energy: -75.618
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: 6, replica: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1315.080976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.080976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.080976 (E_RNA)
where:
Base-Base interactions energy: -855.084
where: short stacking energy: -381.753
Base-Backbone interact. energy: 4.942
local terms energy: -464.939164
where:
bonds (distance) C4'-P energy: -90.867
bonds (distance) P-C4' energy: -107.126
flat angles C4'-P-C4' energy: -100.126
flat angles P-C4'-P energy: -72.353
tors. eta vs tors. theta energy: -94.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1234.432671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.432671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.432671 (E_RNA)
where:
Base-Base interactions energy: -799.837
where: short stacking energy: -316.805
Base-Backbone interact. energy: -5.360
local terms energy: -429.235411
where:
bonds (distance) C4'-P energy: -89.868
bonds (distance) P-C4' energy: -106.085
flat angles C4'-P-C4' energy: -97.667
flat angles P-C4'-P energy: -62.082
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: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1130.121910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.121910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.121910 (E_RNA)
where:
Base-Base interactions energy: -716.682
where: short stacking energy: -315.414
Base-Backbone interact. energy: -2.812
local terms energy: -410.627512
where:
bonds (distance) C4'-P energy: -86.959
bonds (distance) P-C4' energy: -102.881
flat angles C4'-P-C4' energy: -87.641
flat angles P-C4'-P energy: -57.525
tors. eta vs tors. theta energy: -75.621
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: 3
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -953.331552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.331552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.331552 (E_RNA)
where:
Base-Base interactions energy: -578.453
where: short stacking energy: -257.350
Base-Backbone interact. energy: -2.351
local terms energy: -372.526901
where:
bonds (distance) C4'-P energy: -85.707
bonds (distance) P-C4' energy: -90.854
flat angles C4'-P-C4' energy: -102.899
flat angles P-C4'-P energy: -49.499
tors. eta vs tors. theta energy: -43.567
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: 32
Temperature: 1.350000
Total energy: -708.623799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.623799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.623799 (E_RNA)
where:
Base-Base interactions energy: -435.211
where: short stacking energy: -191.156
Base-Backbone interact. energy: -0.166
local terms energy: -273.246498
where:
bonds (distance) C4'-P energy: -71.361
bonds (distance) P-C4' energy: -66.654
flat angles C4'-P-C4' energy: -66.406
flat angles P-C4'-P energy: -53.611
tors. eta vs tors. theta energy: -15.214
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: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1717.443958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.443958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.443958 (E_RNA)
where:
Base-Base interactions energy: -1148.575
where: short stacking energy: -547.168
Base-Backbone interact. energy: -0.996
local terms energy: -567.873492
where:
bonds (distance) C4'-P energy: -106.215
bonds (distance) P-C4' energy: -114.391
flat angles C4'-P-C4' energy: -129.781
flat angles P-C4'-P energy: -63.625
tors. eta vs tors. theta energy: -153.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1635.723469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.723469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.723469 (E_RNA)
where:
Base-Base interactions energy: -1089.295
where: short stacking energy: -474.918
Base-Backbone interact. energy: -0.773
local terms energy: -545.655039
where:
bonds (distance) C4'-P energy: -109.278
bonds (distance) P-C4' energy: -117.948
flat angles C4'-P-C4' energy: -110.707
flat angles P-C4'-P energy: -66.709
tors. eta vs tors. theta energy: -141.012
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: 33
Temperature: 1.000000
Total energy: -1550.096663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.096663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.096663 (E_RNA)
where:
Base-Base interactions energy: -1053.406
where: short stacking energy: -490.007
Base-Backbone interact. energy: -3.713
local terms energy: -492.978013
where:
bonds (distance) C4'-P energy: -73.473
bonds (distance) P-C4' energy: -105.767
flat angles C4'-P-C4' energy: -106.766
flat angles P-C4'-P energy: -73.078
tors. eta vs tors. theta energy: -133.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1425.044207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.044207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.044207 (E_RNA)
where:
Base-Base interactions energy: -931.813
where: short stacking energy: -426.604
Base-Backbone interact. energy: -1.953
local terms energy: -491.278743
where:
bonds (distance) C4'-P energy: -102.414
bonds (distance) P-C4' energy: -103.481
flat angles C4'-P-C4' energy: -101.957
flat angles P-C4'-P energy: -81.719
tors. eta vs tors. theta energy: -101.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1474.380186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.380186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.380186 (E_RNA)
where:
Base-Base interactions energy: -991.581
where: short stacking energy: -461.717
Base-Backbone interact. energy: 2.267
local terms energy: -485.066088
where:
bonds (distance) C4'-P energy: -113.959
bonds (distance) P-C4' energy: -84.257
flat angles C4'-P-C4' energy: -101.514
flat angles P-C4'-P energy: -64.751
tors. eta vs tors. theta energy: -120.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1316.822967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.822967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.822967 (E_RNA)
where:
Base-Base interactions energy: -849.322
where: short stacking energy: -379.126
Base-Backbone interact. energy: -1.375
local terms energy: -466.126322
where:
bonds (distance) C4'-P energy: -92.977
bonds (distance) P-C4' energy: -105.455
flat angles C4'-P-C4' energy: -110.490
flat angles P-C4'-P energy: -62.671
tors. eta vs tors. theta energy: -94.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1265.139898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.139898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.139898 (E_RNA)
where:
Base-Base interactions energy: -840.821
where: short stacking energy: -347.440
Base-Backbone interact. energy: -4.055
local terms energy: -420.263950
where:
bonds (distance) C4'-P energy: -93.987
bonds (distance) P-C4' energy: -83.615
flat angles C4'-P-C4' energy: -97.000
flat angles P-C4'-P energy: -54.011
tors. eta vs tors. theta energy: -91.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1060.693758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.693758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.693758 (E_RNA)
where:
Base-Base interactions energy: -669.077
where: short stacking energy: -312.088
Base-Backbone interact. energy: 6.848
local terms energy: -398.464649
where:
bonds (distance) C4'-P energy: -92.902
bonds (distance) P-C4' energy: -99.322
flat angles C4'-P-C4' energy: -89.572
flat angles P-C4'-P energy: -51.475
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: 9, replica: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -1102.458140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.458140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.458140 (E_RNA)
where:
Base-Base interactions energy: -724.209
where: short stacking energy: -323.484
Base-Backbone interact. energy: -1.599
local terms energy: -376.650055
where:
bonds (distance) C4'-P energy: -91.909
bonds (distance) P-C4' energy: -87.123
flat angles C4'-P-C4' energy: -85.052
flat angles P-C4'-P energy: -48.896
tors. eta vs tors. theta energy: -63.671
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: 33
Temperature: 1.350000
Total energy: -755.987371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.987371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.987371 (E_RNA)
where:
Base-Base interactions energy: -416.594
where: short stacking energy: -189.584
Base-Backbone interact. energy: -2.807
local terms energy: -336.586218
where:
bonds (distance) C4'-P energy: -95.938
bonds (distance) P-C4' energy: -103.443
flat angles C4'-P-C4' energy: -87.142
flat angles P-C4'-P energy: -40.453
tors. eta vs tors. theta energy: -9.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1715.577275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.577275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.577275 (E_RNA)
where:
Base-Base interactions energy: -1134.985
where: short stacking energy: -530.455
Base-Backbone interact. energy: 2.972
local terms energy: -583.564245
where:
bonds (distance) C4'-P energy: -106.159
bonds (distance) P-C4' energy: -114.803
flat angles C4'-P-C4' energy: -124.449
flat angles P-C4'-P energy: -89.258
tors. eta vs tors. theta energy: -148.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1655.584964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.584964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.584964 (E_RNA)
where:
Base-Base interactions energy: -1097.041
where: short stacking energy: -496.886
Base-Backbone interact. energy: -2.408
local terms energy: -556.135807
where:
bonds (distance) C4'-P energy: -110.786
bonds (distance) P-C4' energy: -112.521
flat angles C4'-P-C4' energy: -118.179
flat angles P-C4'-P energy: -80.654
tors. eta vs tors. theta energy: -133.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1568.440231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.440231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.440231 (E_RNA)
where:
Base-Base interactions energy: -1050.886
where: short stacking energy: -461.891
Base-Backbone interact. energy: -1.521
local terms energy: -516.033646
where:
bonds (distance) C4'-P energy: -98.175
bonds (distance) P-C4' energy: -103.944
flat angles C4'-P-C4' energy: -107.985
flat angles P-C4'-P energy: -84.441
tors. eta vs tors. theta energy: -121.489
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: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1414.814650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.814650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.814650 (E_RNA)
where:
Base-Base interactions energy: -931.453
where: short stacking energy: -419.945
Base-Backbone interact. energy: 2.858
local terms energy: -486.220462
where:
bonds (distance) C4'-P energy: -95.332
bonds (distance) P-C4' energy: -105.365
flat angles C4'-P-C4' energy: -107.507
flat angles P-C4'-P energy: -59.878
tors. eta vs tors. theta energy: -118.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1439.787675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.787675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.787675 (E_RNA)
where:
Base-Base interactions energy: -949.577
where: short stacking energy: -417.105
Base-Backbone interact. energy: -0.882
local terms energy: -489.329022
where:
bonds (distance) C4'-P energy: -100.171
bonds (distance) P-C4' energy: -83.819
flat angles C4'-P-C4' energy: -115.528
flat angles P-C4'-P energy: -76.995
tors. eta vs tors. theta energy: -112.816
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: 34
Temperature: 1.150000
Total energy: -1350.943738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.943738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.943738 (E_RNA)
where:
Base-Base interactions energy: -885.774
where: short stacking energy: -391.560
Base-Backbone interact. energy: -0.113
local terms energy: -465.057484
where:
bonds (distance) C4'-P energy: -94.448
bonds (distance) P-C4' energy: -102.295
flat angles C4'-P-C4' energy: -100.525
flat angles P-C4'-P energy: -68.353
tors. eta vs tors. theta energy: -99.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1228.656948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.656948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.656948 (E_RNA)
where:
Base-Base interactions energy: -822.655
where: short stacking energy: -331.739
Base-Backbone interact. energy: -1.712
local terms energy: -404.289065
where:
bonds (distance) C4'-P energy: -89.161
bonds (distance) P-C4' energy: -90.755
flat angles C4'-P-C4' energy: -105.502
flat angles P-C4'-P energy: -59.020
tors. eta vs tors. theta energy: -59.850
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: 3
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1028.441946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.441946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.441946 (E_RNA)
where:
Base-Base interactions energy: -629.099
where: short stacking energy: -281.583
Base-Backbone interact. energy: -1.327
local terms energy: -398.015503
where:
bonds (distance) C4'-P energy: -93.334
bonds (distance) P-C4' energy: -105.412
flat angles C4'-P-C4' energy: -92.431
flat angles P-C4'-P energy: -45.390
tors. eta vs tors. theta energy: -61.449
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: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -1047.568959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.568959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.568959 (E_RNA)
where:
Base-Base interactions energy: -678.252
where: short stacking energy: -291.135
Base-Backbone interact. energy: -3.632
local terms energy: -365.685434
where:
bonds (distance) C4'-P energy: -79.522
bonds (distance) P-C4' energy: -98.368
flat angles C4'-P-C4' energy: -82.254
flat angles P-C4'-P energy: -54.721
tors. eta vs tors. theta energy: -50.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -775.376338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.376338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.376338 (E_RNA)
where:
Base-Base interactions energy: -501.516
where: short stacking energy: -220.798
Base-Backbone interact. energy: 3.090
local terms energy: -276.950892
where:
bonds (distance) C4'-P energy: -75.802
bonds (distance) P-C4' energy: -89.638
flat angles C4'-P-C4' energy: -63.763
flat angles P-C4'-P energy: -42.366
tors. eta vs tors. theta energy: -5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1757.353954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.353954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.353954 (E_RNA)
where:
Base-Base interactions energy: -1153.576
where: short stacking energy: -521.342
Base-Backbone interact. energy: 0.790
local terms energy: -604.567981
where:
bonds (distance) C4'-P energy: -102.075
bonds (distance) P-C4' energy: -120.185
flat angles C4'-P-C4' energy: -127.409
flat angles P-C4'-P energy: -86.434
tors. eta vs tors. theta energy: -168.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1621.187316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.187316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.187316 (E_RNA)
where:
Base-Base interactions energy: -1078.444
where: short stacking energy: -471.996
Base-Backbone interact. energy: -4.246
local terms energy: -538.496972
where:
bonds (distance) C4'-P energy: -108.974
bonds (distance) P-C4' energy: -102.384
flat angles C4'-P-C4' energy: -116.178
flat angles P-C4'-P energy: -79.332
tors. eta vs tors. theta energy: -131.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1606.450550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.450550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.450550 (E_RNA)
where:
Base-Base interactions energy: -1073.559
where: short stacking energy: -492.877
Base-Backbone interact. energy: -2.855
local terms energy: -530.036573
where:
bonds (distance) C4'-P energy: -114.138
bonds (distance) P-C4' energy: -91.042
flat angles C4'-P-C4' energy: -111.603
flat angles P-C4'-P energy: -78.394
tors. eta vs tors. theta energy: -134.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1506.717585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.717585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.717585 (E_RNA)
where:
Base-Base interactions energy: -983.064
where: short stacking energy: -430.132
Base-Backbone interact. energy: -2.228
local terms energy: -521.425766
where:
bonds (distance) C4'-P energy: -101.915
bonds (distance) P-C4' energy: -100.054
flat angles C4'-P-C4' energy: -108.662
flat angles P-C4'-P energy: -74.851
tors. eta vs tors. theta energy: -135.944
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: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1379.660570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.660570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.660570 (E_RNA)
where:
Base-Base interactions energy: -913.308
where: short stacking energy: -429.537
Base-Backbone interact. energy: -1.495
local terms energy: -464.857491
where:
bonds (distance) C4'-P energy: -96.685
bonds (distance) P-C4' energy: -93.861
flat angles C4'-P-C4' energy: -101.028
flat angles P-C4'-P energy: -54.366
tors. eta vs tors. theta energy: -118.918
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: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1327.352110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.352110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.352110 (E_RNA)
where:
Base-Base interactions energy: -884.522
where: short stacking energy: -385.161
Base-Backbone interact. energy: 7.927
local terms energy: -450.756773
where:
bonds (distance) C4'-P energy: -95.468
bonds (distance) P-C4' energy: -113.066
flat angles C4'-P-C4' energy: -101.562
flat angles P-C4'-P energy: -53.140
tors. eta vs tors. theta energy: -87.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1260.169130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.169130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.169130 (E_RNA)
where:
Base-Base interactions energy: -825.185
where: short stacking energy: -338.943
Base-Backbone interact. energy: -1.186
local terms energy: -433.798020
where:
bonds (distance) C4'-P energy: -84.793
bonds (distance) P-C4' energy: -97.796
flat angles C4'-P-C4' energy: -105.226
flat angles P-C4'-P energy: -62.946
tors. eta vs tors. theta energy: -83.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1099.259133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.259133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.259133 (E_RNA)
where:
Base-Base interactions energy: -736.172
where: short stacking energy: -307.525
Base-Backbone interact. energy: -0.932
local terms energy: -362.154768
where:
bonds (distance) C4'-P energy: -101.731
bonds (distance) P-C4' energy: -79.132
flat angles C4'-P-C4' energy: -76.187
flat angles P-C4'-P energy: -51.203
tors. eta vs tors. theta energy: -53.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1013.430691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.430691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.430691 (E_RNA)
where:
Base-Base interactions energy: -627.478
where: short stacking energy: -259.576
Base-Backbone interact. energy: 4.132
local terms energy: -390.084435
where:
bonds (distance) C4'-P energy: -99.227
bonds (distance) P-C4' energy: -97.420
flat angles C4'-P-C4' energy: -78.470
flat angles P-C4'-P energy: -58.013
tors. eta vs tors. theta energy: -56.955
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: 35
Temperature: 1.350000
Total energy: -679.693546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.693546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.693546 (E_RNA)
where:
Base-Base interactions energy: -398.576
where: short stacking energy: -180.880
Base-Backbone interact. energy: -0.586
local terms energy: -280.531985
where:
bonds (distance) C4'-P energy: -73.319
bonds (distance) P-C4' energy: -83.285
flat angles C4'-P-C4' energy: -86.906
flat angles P-C4'-P energy: -40.150
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: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1758.534396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.534396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.534396 (E_RNA)
where:
Base-Base interactions energy: -1171.011
where: short stacking energy: -555.177
Base-Backbone interact. energy: -4.095
local terms energy: -583.428991
where:
bonds (distance) C4'-P energy: -112.156
bonds (distance) P-C4' energy: -109.680
flat angles C4'-P-C4' energy: -115.363
flat angles P-C4'-P energy: -79.752
tors. eta vs tors. theta energy: -166.478
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: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1632.600587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.600587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.600587 (E_RNA)
where:
Base-Base interactions energy: -1050.153
where: short stacking energy: -492.026
Base-Backbone interact. energy: 1.806
local terms energy: -584.253929
where:
bonds (distance) C4'-P energy: -116.927
bonds (distance) P-C4' energy: -116.376
flat angles C4'-P-C4' energy: -130.007
flat angles P-C4'-P energy: -88.600
tors. eta vs tors. theta energy: -132.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1570.517919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.517919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.517919 (E_RNA)
where:
Base-Base interactions energy: -1044.139
where: short stacking energy: -481.354
Base-Backbone interact. energy: -3.434
local terms energy: -522.944603
where:
bonds (distance) C4'-P energy: -97.605
bonds (distance) P-C4' energy: -90.384
flat angles C4'-P-C4' energy: -115.746
flat angles P-C4'-P energy: -82.983
tors. eta vs tors. theta energy: -136.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1511.660970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.660970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.660970 (E_RNA)
where:
Base-Base interactions energy: -1009.143
where: short stacking energy: -445.420
Base-Backbone interact. energy: -0.476
local terms energy: -502.042265
where:
bonds (distance) C4'-P energy: -100.726
bonds (distance) P-C4' energy: -89.527
flat angles C4'-P-C4' energy: -117.225
flat angles P-C4'-P energy: -64.285
tors. eta vs tors. theta energy: -130.279
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: 2
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1355.192338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.192338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.192338 (E_RNA)
where:
Base-Base interactions energy: -890.659
where: short stacking energy: -401.203
Base-Backbone interact. energy: -1.764
local terms energy: -462.769270
where:
bonds (distance) C4'-P energy: -103.592
bonds (distance) P-C4' energy: -92.819
flat angles C4'-P-C4' energy: -100.254
flat angles P-C4'-P energy: -66.386
tors. eta vs tors. theta energy: -99.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1328.518407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.518407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.518407 (E_RNA)
where:
Base-Base interactions energy: -878.131
where: short stacking energy: -392.136
Base-Backbone interact. energy: 0.110
local terms energy: -450.497381
where:
bonds (distance) C4'-P energy: -90.451
bonds (distance) P-C4' energy: -102.295
flat angles C4'-P-C4' energy: -96.095
flat angles P-C4'-P energy: -60.957
tors. eta vs tors. theta energy: -100.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1258.530304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.530304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.530304 (E_RNA)
where:
Base-Base interactions energy: -849.129
where: short stacking energy: -360.753
Base-Backbone interact. energy: -0.449
local terms energy: -408.952261
where:
bonds (distance) C4'-P energy: -98.139
bonds (distance) P-C4' energy: -99.406
flat angles C4'-P-C4' energy: -92.651
flat angles P-C4'-P energy: -53.707
tors. eta vs tors. theta energy: -65.049
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: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1195.882761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.882761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.882761 (E_RNA)
where:
Base-Base interactions energy: -783.205
where: short stacking energy: -367.142
Base-Backbone interact. energy: -1.418
local terms energy: -411.259759
where:
bonds (distance) C4'-P energy: -94.410
bonds (distance) P-C4' energy: -78.942
flat angles C4'-P-C4' energy: -83.318
flat angles P-C4'-P energy: -74.081
tors. eta vs tors. theta energy: -80.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -965.583181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.583181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.583181 (E_RNA)
where:
Base-Base interactions energy: -587.392
where: short stacking energy: -254.116
Base-Backbone interact. energy: -0.568
local terms energy: -377.623263
where:
bonds (distance) C4'-P energy: -84.885
bonds (distance) P-C4' energy: -95.125
flat angles C4'-P-C4' energy: -85.857
flat angles P-C4'-P energy: -77.727
tors. eta vs tors. theta energy: -34.029
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: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -728.476368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.476368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.476368 (E_RNA)
where:
Base-Base interactions energy: -421.357
where: short stacking energy: -212.660
Base-Backbone interact. energy: -0.438
local terms energy: -306.681391
where:
bonds (distance) C4'-P energy: -89.096
bonds (distance) P-C4' energy: -85.050
flat angles C4'-P-C4' energy: -75.660
flat angles P-C4'-P energy: -47.750
tors. eta vs tors. theta energy: -9.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1786.396900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.396900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.396900 (E_RNA)
where:
Base-Base interactions energy: -1174.072
where: short stacking energy: -548.164
Base-Backbone interact. energy: -2.321
local terms energy: -610.004346
where:
bonds (distance) C4'-P energy: -110.016
bonds (distance) P-C4' energy: -119.640
flat angles C4'-P-C4' energy: -133.836
flat angles P-C4'-P energy: -71.324
tors. eta vs tors. theta energy: -175.188
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: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1672.950671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.950671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.950671 (E_RNA)
where:
Base-Base interactions energy: -1121.206
where: short stacking energy: -501.012
Base-Backbone interact. energy: -1.988
local terms energy: -549.756718
where:
bonds (distance) C4'-P energy: -106.715
bonds (distance) P-C4' energy: -110.842
flat angles C4'-P-C4' energy: -114.836
flat angles P-C4'-P energy: -73.108
tors. eta vs tors. theta energy: -144.256
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: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1557.711089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.711089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.711089 (E_RNA)
where:
Base-Base interactions energy: -1019.453
where: short stacking energy: -475.847
Base-Backbone interact. energy: -1.669
local terms energy: -536.589685
where:
bonds (distance) C4'-P energy: -106.223
bonds (distance) P-C4' energy: -106.279
flat angles C4'-P-C4' energy: -115.304
flat angles P-C4'-P energy: -70.226
tors. eta vs tors. theta energy: -138.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1565.330600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.330600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.330600 (E_RNA)
where:
Base-Base interactions energy: -1055.852
where: short stacking energy: -460.262
Base-Backbone interact. energy: -1.482
local terms energy: -507.996555
where:
bonds (distance) C4'-P energy: -95.970
bonds (distance) P-C4' energy: -111.301
flat angles C4'-P-C4' energy: -111.342
flat angles P-C4'-P energy: -56.554
tors. eta vs tors. theta energy: -132.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1374.391398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.391398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.391398 (E_RNA)
where:
Base-Base interactions energy: -882.985
where: short stacking energy: -401.031
Base-Backbone interact. energy: -1.117
local terms energy: -490.289002
where:
bonds (distance) C4'-P energy: -98.583
bonds (distance) P-C4' energy: -107.726
flat angles C4'-P-C4' energy: -109.545
flat angles P-C4'-P energy: -60.592
tors. eta vs tors. theta energy: -113.843
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: 6, replica: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1304.641236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.641236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.641236 (E_RNA)
where:
Base-Base interactions energy: -873.358
where: short stacking energy: -375.944
Base-Backbone interact. energy: -2.161
local terms energy: -429.123060
where:
bonds (distance) C4'-P energy: -87.009
bonds (distance) P-C4' energy: -95.538
flat angles C4'-P-C4' energy: -107.987
flat angles P-C4'-P energy: -59.773
tors. eta vs tors. theta energy: -78.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1258.792638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.792638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.792638 (E_RNA)
where:
Base-Base interactions energy: -828.909
where: short stacking energy: -364.532
Base-Backbone interact. energy: 0.007
local terms energy: -429.890792
where:
bonds (distance) C4'-P energy: -100.960
bonds (distance) P-C4' energy: -87.544
flat angles C4'-P-C4' energy: -94.275
flat angles P-C4'-P energy: -63.347
tors. eta vs tors. theta energy: -83.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1182.929655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.929655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.929655 (E_RNA)
where:
Base-Base interactions energy: -769.169
where: short stacking energy: -339.530
Base-Backbone interact. energy: 0.426
local terms energy: -414.186447
where:
bonds (distance) C4'-P energy: -83.091
bonds (distance) P-C4' energy: -99.985
flat angles C4'-P-C4' energy: -95.680
flat angles P-C4'-P energy: -62.356
tors. eta vs tors. theta energy: -73.074
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: 3
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -959.144881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.144881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.144881 (E_RNA)
where:
Base-Base interactions energy: -554.874
where: short stacking energy: -249.152
Base-Backbone interact. energy: -3.133
local terms energy: -401.138085
where:
bonds (distance) C4'-P energy: -101.273
bonds (distance) P-C4' energy: -88.839
flat angles C4'-P-C4' energy: -94.442
flat angles P-C4'-P energy: -66.974
tors. eta vs tors. theta energy: -49.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -663.558846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.558846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.558846 (E_RNA)
where:
Base-Base interactions energy: -368.778
where: short stacking energy: -208.430
Base-Backbone interact. energy: -0.918
local terms energy: -293.862577
where:
bonds (distance) C4'-P energy: -68.922
bonds (distance) P-C4' energy: -80.521
flat angles C4'-P-C4' energy: -82.538
flat angles P-C4'-P energy: -47.034
tors. eta vs tors. theta energy: -14.846
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: 1, replica: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1764.574070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.574070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.574070 (E_RNA)
where:
Base-Base interactions energy: -1161.219
where: short stacking energy: -549.723
Base-Backbone interact. energy: -5.102
local terms energy: -598.252770
where:
bonds (distance) C4'-P energy: -119.675
bonds (distance) P-C4' energy: -111.736
flat angles C4'-P-C4' energy: -114.660
flat angles P-C4'-P energy: -82.824
tors. eta vs tors. theta energy: -169.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1651.800662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.800662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.800662 (E_RNA)
where:
Base-Base interactions energy: -1106.277
where: short stacking energy: -501.320
Base-Backbone interact. energy: -2.348
local terms energy: -543.176433
where:
bonds (distance) C4'-P energy: -110.591
bonds (distance) P-C4' energy: -113.941
flat angles C4'-P-C4' energy: -104.055
flat angles P-C4'-P energy: -70.382
tors. eta vs tors. theta energy: -144.207
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: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1603.579941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.579941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.579941 (E_RNA)
where:
Base-Base interactions energy: -1070.012
where: short stacking energy: -461.264
Base-Backbone interact. energy: -4.148
local terms energy: -529.419899
where:
bonds (distance) C4'-P energy: -96.229
bonds (distance) P-C4' energy: -106.425
flat angles C4'-P-C4' energy: -114.363
flat angles P-C4'-P energy: -83.924
tors. eta vs tors. theta energy: -128.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1528.866138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.866138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.866138 (E_RNA)
where:
Base-Base interactions energy: -1017.676
where: short stacking energy: -441.470
Base-Backbone interact. energy: 0.352
local terms energy: -511.542971
where:
bonds (distance) C4'-P energy: -98.364
bonds (distance) P-C4' energy: -108.180
flat angles C4'-P-C4' energy: -103.120
flat angles P-C4'-P energy: -80.604
tors. eta vs tors. theta energy: -121.274
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: 9
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1369.921356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.921356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.921356 (E_RNA)
where:
Base-Base interactions energy: -894.790
where: short stacking energy: -394.941
Base-Backbone interact. energy: 0.553
local terms energy: -475.684331
where:
bonds (distance) C4'-P energy: -94.950
bonds (distance) P-C4' energy: -106.051
flat angles C4'-P-C4' energy: -101.613
flat angles P-C4'-P energy: -73.581
tors. eta vs tors. theta energy: -99.490
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: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1309.707066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.707066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.707066 (E_RNA)
where:
Base-Base interactions energy: -869.558
where: short stacking energy: -394.337
Base-Backbone interact. energy: -1.492
local terms energy: -438.657168
where:
bonds (distance) C4'-P energy: -93.867
bonds (distance) P-C4' energy: -91.295
flat angles C4'-P-C4' energy: -101.546
flat angles P-C4'-P energy: -56.400
tors. eta vs tors. theta energy: -95.550
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: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1247.912087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.912087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.912087 (E_RNA)
where:
Base-Base interactions energy: -844.335
where: short stacking energy: -354.470
Base-Backbone interact. energy: -0.749
local terms energy: -402.828711
where:
bonds (distance) C4'-P energy: -79.040
bonds (distance) P-C4' energy: -69.596
flat angles C4'-P-C4' energy: -101.680
flat angles P-C4'-P energy: -61.493
tors. eta vs tors. theta energy: -91.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1154.371168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.371168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.371168 (E_RNA)
where:
Base-Base interactions energy: -748.077
where: short stacking energy: -334.368
Base-Backbone interact. energy: -1.117
local terms energy: -405.177146
where:
bonds (distance) C4'-P energy: -67.147
bonds (distance) P-C4' energy: -91.308
flat angles C4'-P-C4' energy: -103.708
flat angles P-C4'-P energy: -59.516
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: 9, replica: 3
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -916.629747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.629747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.629747 (E_RNA)
where:
Base-Base interactions energy: -567.815
where: short stacking energy: -241.234
Base-Backbone interact. energy: 0.222
local terms energy: -349.036237
where:
bonds (distance) C4'-P energy: -79.948
bonds (distance) P-C4' energy: -103.973
flat angles C4'-P-C4' energy: -80.951
flat angles P-C4'-P energy: -46.640
tors. eta vs tors. theta energy: -37.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -759.521198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.521198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.521198 (E_RNA)
where:
Base-Base interactions energy: -420.595
where: short stacking energy: -208.742
Base-Backbone interact. energy: 0.673
local terms energy: -339.599885
where:
bonds (distance) C4'-P energy: -88.136
bonds (distance) P-C4' energy: -87.902
flat angles C4'-P-C4' energy: -90.608
flat angles P-C4'-P energy: -53.486
tors. eta vs tors. theta energy: -19.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1738.121168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.121168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.121168 (E_RNA)
where:
Base-Base interactions energy: -1151.144
where: short stacking energy: -524.887
Base-Backbone interact. energy: -0.665
local terms energy: -586.312359
where:
bonds (distance) C4'-P energy: -118.311
bonds (distance) P-C4' energy: -109.385
flat angles C4'-P-C4' energy: -116.998
flat angles P-C4'-P energy: -84.531
tors. eta vs tors. theta energy: -157.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1658.518108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.518108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.518108 (E_RNA)
where:
Base-Base interactions energy: -1118.946
where: short stacking energy: -486.697
Base-Backbone interact. energy: -2.495
local terms energy: -537.077250
where:
bonds (distance) C4'-P energy: -103.419
bonds (distance) P-C4' energy: -109.608
flat angles C4'-P-C4' energy: -122.701
flat angles P-C4'-P energy: -76.116
tors. eta vs tors. theta energy: -125.233
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: 7
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1615.075469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.075469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.075469 (E_RNA)
where:
Base-Base interactions energy: -1089.476
where: short stacking energy: -499.464
Base-Backbone interact. energy: -2.771
local terms energy: -522.829219
where:
bonds (distance) C4'-P energy: -96.618
bonds (distance) P-C4' energy: -100.418
flat angles C4'-P-C4' energy: -117.129
flat angles P-C4'-P energy: -71.311
tors. eta vs tors. theta energy: -137.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1510.273014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.273014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.273014 (E_RNA)
where:
Base-Base interactions energy: -1017.950
where: short stacking energy: -432.865
Base-Backbone interact. energy: -0.587
local terms energy: -491.736186
where:
bonds (distance) C4'-P energy: -91.420
bonds (distance) P-C4' energy: -98.807
flat angles C4'-P-C4' energy: -120.438
flat angles P-C4'-P energy: -71.503
tors. eta vs tors. theta energy: -109.569
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: 5, replica: 9
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1393.215143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.215143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.215143 (E_RNA)
where:
Base-Base interactions energy: -942.387
where: short stacking energy: -408.310
Base-Backbone interact. energy: 3.712
local terms energy: -454.540609
where:
bonds (distance) C4'-P energy: -91.083
bonds (distance) P-C4' energy: -97.656
flat angles C4'-P-C4' energy: -106.581
flat angles P-C4'-P energy: -63.864
tors. eta vs tors. theta energy: -95.357
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: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1319.190394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.190394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.190394 (E_RNA)
where:
Base-Base interactions energy: -843.507
where: short stacking energy: -389.771
Base-Backbone interact. energy: -1.961
local terms energy: -473.722602
where:
bonds (distance) C4'-P energy: -84.927
bonds (distance) P-C4' energy: -100.948
flat angles C4'-P-C4' energy: -119.824
flat angles P-C4'-P energy: -63.812
tors. eta vs tors. theta energy: -104.211
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: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1254.794119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.794119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.794119 (E_RNA)
where:
Base-Base interactions energy: -823.611
where: short stacking energy: -362.156
Base-Backbone interact. energy: -1.636
local terms energy: -429.546964
where:
bonds (distance) C4'-P energy: -90.731
bonds (distance) P-C4' energy: -94.829
flat angles C4'-P-C4' energy: -96.304
flat angles P-C4'-P energy: -58.475
tors. eta vs tors. theta energy: -89.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1166.589976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.589976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.589976 (E_RNA)
where:
Base-Base interactions energy: -781.633
where: short stacking energy: -314.737
Base-Backbone interact. energy: -0.647
local terms energy: -384.309831
where:
bonds (distance) C4'-P energy: -77.500
bonds (distance) P-C4' energy: -96.790
flat angles C4'-P-C4' energy: -101.120
flat angles P-C4'-P energy: -51.921
tors. eta vs tors. theta energy: -56.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -953.057872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.057872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.057872 (E_RNA)
where:
Base-Base interactions energy: -583.153
where: short stacking energy: -256.963
Base-Backbone interact. energy: -2.456
local terms energy: -367.448832
where:
bonds (distance) C4'-P energy: -88.805
bonds (distance) P-C4' energy: -98.435
flat angles C4'-P-C4' energy: -87.539
flat angles P-C4'-P energy: -55.018
tors. eta vs tors. theta energy: -37.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -705.152322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.152322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.152322 (E_RNA)
where:
Base-Base interactions energy: -405.012
where: short stacking energy: -205.015
Base-Backbone interact. energy: -0.163
local terms energy: -299.977328
where:
bonds (distance) C4'-P energy: -74.245
bonds (distance) P-C4' energy: -79.645
flat angles C4'-P-C4' energy: -77.119
flat angles P-C4'-P energy: -60.594
tors. eta vs tors. theta energy: -8.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1749.379318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.379318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.379318 (E_RNA)
where:
Base-Base interactions energy: -1156.791
where: short stacking energy: -529.977
Base-Backbone interact. energy: -1.913
local terms energy: -590.675361
where:
bonds (distance) C4'-P energy: -99.444
bonds (distance) P-C4' energy: -112.326
flat angles C4'-P-C4' energy: -133.097
flat angles P-C4'-P energy: -85.328
tors. eta vs tors. theta energy: -160.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1668.898280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.898280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.898280 (E_RNA)
where:
Base-Base interactions energy: -1128.682
where: short stacking energy: -519.753
Base-Backbone interact. energy: -5.804
local terms energy: -534.412179
where:
bonds (distance) C4'-P energy: -100.002
bonds (distance) P-C4' energy: -106.825
flat angles C4'-P-C4' energy: -116.504
flat angles P-C4'-P energy: -75.635
tors. eta vs tors. theta energy: -135.447
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: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1593.794428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.794428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.794428 (E_RNA)
where:
Base-Base interactions energy: -1074.532
where: short stacking energy: -475.559
Base-Backbone interact. energy: -1.061
local terms energy: -518.201405
where:
bonds (distance) C4'-P energy: -96.431
bonds (distance) P-C4' energy: -100.577
flat angles C4'-P-C4' energy: -114.016
flat angles P-C4'-P energy: -70.109
tors. eta vs tors. theta energy: -137.069
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: 40
Temperature: 1.050000
Total energy: -1485.418952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.418952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.418952 (E_RNA)
where:
Base-Base interactions energy: -992.531
where: short stacking energy: -439.469
Base-Backbone interact. energy: -0.966
local terms energy: -491.921376
where:
bonds (distance) C4'-P energy: -92.970
bonds (distance) P-C4' energy: -102.051
flat angles C4'-P-C4' energy: -103.831
flat angles P-C4'-P energy: -73.144
tors. eta vs tors. theta energy: -119.925
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: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1372.509960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.509960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.509960 (E_RNA)
where:
Base-Base interactions energy: -891.826
where: short stacking energy: -392.998
Base-Backbone interact. energy: 0.575
local terms energy: -481.259206
where:
bonds (distance) C4'-P energy: -94.897
bonds (distance) P-C4' energy: -103.460
flat angles C4'-P-C4' energy: -114.746
flat angles P-C4'-P energy: -64.608
tors. eta vs tors. theta energy: -103.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1297.160522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.160522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.160522 (E_RNA)
where:
Base-Base interactions energy: -848.664
where: short stacking energy: -394.733
Base-Backbone interact. energy: -0.809
local terms energy: -447.688041
where:
bonds (distance) C4'-P energy: -96.663
bonds (distance) P-C4' energy: -94.208
flat angles C4'-P-C4' energy: -105.202
flat angles P-C4'-P energy: -64.795
tors. eta vs tors. theta energy: -86.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1245.455419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.455419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.455419 (E_RNA)
where:
Base-Base interactions energy: -811.924
where: short stacking energy: -353.123
Base-Backbone interact. energy: -3.812
local terms energy: -429.719175
where:
bonds (distance) C4'-P energy: -83.656
bonds (distance) P-C4' energy: -94.063
flat angles C4'-P-C4' energy: -104.315
flat angles P-C4'-P energy: -58.714
tors. eta vs tors. theta energy: -88.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1155.125098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.125098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.125098 (E_RNA)
where:
Base-Base interactions energy: -760.053
where: short stacking energy: -319.684
Base-Backbone interact. energy: -4.200
local terms energy: -390.872159
where:
bonds (distance) C4'-P energy: -73.320
bonds (distance) P-C4' energy: -92.910
flat angles C4'-P-C4' energy: -87.920
flat angles P-C4'-P energy: -65.349
tors. eta vs tors. theta energy: -71.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -934.182122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.182122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.182122 (E_RNA)
where:
Base-Base interactions energy: -595.740
where: short stacking energy: -253.052
Base-Backbone interact. energy: -6.071
local terms energy: -332.371449
where:
bonds (distance) C4'-P energy: -78.613
bonds (distance) P-C4' energy: -97.861
flat angles C4'-P-C4' energy: -74.317
flat angles P-C4'-P energy: -52.982
tors. eta vs tors. theta energy: -28.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -701.805871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.805871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.805871 (E_RNA)
where:
Base-Base interactions energy: -401.907
where: short stacking energy: -213.221
Base-Backbone interact. energy: -0.354
local terms energy: -299.544763
where:
bonds (distance) C4'-P energy: -68.972
bonds (distance) P-C4' energy: -94.325
flat angles C4'-P-C4' energy: -83.505
flat angles P-C4'-P energy: -45.353
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1799.067075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.067075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.067075 (E_RNA)
where:
Base-Base interactions energy: -1189.403
where: short stacking energy: -540.042
Base-Backbone interact. energy: -3.617
local terms energy: -606.046596
where:
bonds (distance) C4'-P energy: -106.722
bonds (distance) P-C4' energy: -105.336
flat angles C4'-P-C4' energy: -142.899
flat angles P-C4'-P energy: -82.246
tors. eta vs tors. theta energy: -168.844
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: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1664.223741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.223741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.223741 (E_RNA)
where:
Base-Base interactions energy: -1120.347
where: short stacking energy: -501.312
Base-Backbone interact. energy: -2.791
local terms energy: -541.085493
where:
bonds (distance) C4'-P energy: -102.150
bonds (distance) P-C4' energy: -104.602
flat angles C4'-P-C4' energy: -108.991
flat angles P-C4'-P energy: -80.952
tors. eta vs tors. theta energy: -144.391
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: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1587.148352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.148352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.148352 (E_RNA)
where:
Base-Base interactions energy: -1033.654
where: short stacking energy: -444.837
Base-Backbone interact. energy: -0.664
local terms energy: -552.831272
where:
bonds (distance) C4'-P energy: -100.200
bonds (distance) P-C4' energy: -116.816
flat angles C4'-P-C4' energy: -118.822
flat angles P-C4'-P energy: -78.016
tors. eta vs tors. theta energy: -138.978
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: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1447.936782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.936782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.936782 (E_RNA)
where:
Base-Base interactions energy: -937.317
where: short stacking energy: -429.966
Base-Backbone interact. energy: -2.435
local terms energy: -508.184850
where:
bonds (distance) C4'-P energy: -102.066
bonds (distance) P-C4' energy: -103.531
flat angles C4'-P-C4' energy: -125.364
flat angles P-C4'-P energy: -62.429
tors. eta vs tors. theta energy: -114.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1411.735914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.735914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.735914 (E_RNA)
where:
Base-Base interactions energy: -938.995
where: short stacking energy: -400.725
Base-Backbone interact. energy: 2.610
local terms energy: -475.350553
where:
bonds (distance) C4'-P energy: -99.454
bonds (distance) P-C4' energy: -96.074
flat angles C4'-P-C4' energy: -104.507
flat angles P-C4'-P energy: -71.043
tors. eta vs tors. theta energy: -104.273
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: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1298.239039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.239039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.239039 (E_RNA)
where:
Base-Base interactions energy: -849.564
where: short stacking energy: -360.539
Base-Backbone interact. energy: -2.884
local terms energy: -445.791059
where:
bonds (distance) C4'-P energy: -115.424
bonds (distance) P-C4' energy: -84.289
flat angles C4'-P-C4' energy: -95.269
flat angles P-C4'-P energy: -56.041
tors. eta vs tors. theta energy: -94.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1216.655930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.655930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.655930 (E_RNA)
where:
Base-Base interactions energy: -796.453
where: short stacking energy: -371.267
Base-Backbone interact. energy: -0.625
local terms energy: -419.577690
where:
bonds (distance) C4'-P energy: -99.040
bonds (distance) P-C4' energy: -95.690
flat angles C4'-P-C4' energy: -86.281
flat angles P-C4'-P energy: -54.233
tors. eta vs tors. theta energy: -84.333
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: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1137.690533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.690533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.690533 (E_RNA)
where:
Base-Base interactions energy: -767.313
where: short stacking energy: -325.958
Base-Backbone interact. energy: 1.661
local terms energy: -372.038869
where:
bonds (distance) C4'-P energy: -85.660
bonds (distance) P-C4' energy: -80.857
flat angles C4'-P-C4' energy: -78.876
flat angles P-C4'-P energy: -51.935
tors. eta vs tors. theta energy: -74.712
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: 3
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -952.004264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.004264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.004264 (E_RNA)
where:
Base-Base interactions energy: -605.209
where: short stacking energy: -260.966
Base-Backbone interact. energy: -0.696
local terms energy: -346.099045
where:
bonds (distance) C4'-P energy: -85.358
bonds (distance) P-C4' energy: -83.037
flat angles C4'-P-C4' energy: -88.642
flat angles P-C4'-P energy: -32.236
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: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -675.770708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.770708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.770708 (E_RNA)
where:
Base-Base interactions energy: -363.568
where: short stacking energy: -196.320
Base-Backbone interact. energy: 2.248
local terms energy: -314.451189
where:
bonds (distance) C4'-P energy: -82.456
bonds (distance) P-C4' energy: -100.358
flat angles C4'-P-C4' energy: -67.642
flat angles P-C4'-P energy: -49.448
tors. eta vs tors. theta energy: -14.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1779.260583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.260583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.260583 (E_RNA)
where:
Base-Base interactions energy: -1209.658
where: short stacking energy: -540.559
Base-Backbone interact. energy: -3.434
local terms energy: -566.168545
where:
bonds (distance) C4'-P energy: -95.940
bonds (distance) P-C4' energy: -111.614
flat angles C4'-P-C4' energy: -114.538
flat angles P-C4'-P energy: -84.919
tors. eta vs tors. theta energy: -159.158
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: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1653.850489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.850489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.850489 (E_RNA)
where:
Base-Base interactions energy: -1127.647
where: short stacking energy: -494.779
Base-Backbone interact. energy: -3.708
local terms energy: -522.496155
where:
bonds (distance) C4'-P energy: -97.625
bonds (distance) P-C4' energy: -106.563
flat angles C4'-P-C4' energy: -120.123
flat angles P-C4'-P energy: -71.943
tors. eta vs tors. theta energy: -126.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1555.497708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.497708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.497708 (E_RNA)
where:
Base-Base interactions energy: -1040.481
where: short stacking energy: -452.743
Base-Backbone interact. energy: 1.098
local terms energy: -516.115124
where:
bonds (distance) C4'-P energy: -100.006
bonds (distance) P-C4' energy: -107.758
flat angles C4'-P-C4' energy: -106.802
flat angles P-C4'-P energy: -80.623
tors. eta vs tors. theta energy: -120.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1502.482520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.482520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.482520 (E_RNA)
where:
Base-Base interactions energy: -1014.400
where: short stacking energy: -437.902
Base-Backbone interact. energy: 0.115
local terms energy: -488.196934
where:
bonds (distance) C4'-P energy: -103.402
bonds (distance) P-C4' energy: -93.586
flat angles C4'-P-C4' energy: -113.557
flat angles P-C4'-P energy: -57.269
tors. eta vs tors. theta energy: -120.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1349.024055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.024055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.024055 (E_RNA)
where:
Base-Base interactions energy: -877.495
where: short stacking energy: -383.568
Base-Backbone interact. energy: -1.673
local terms energy: -469.855340
where:
bonds (distance) C4'-P energy: -91.743
bonds (distance) P-C4' energy: -106.374
flat angles C4'-P-C4' energy: -100.831
flat angles P-C4'-P energy: -77.801
tors. eta vs tors. theta energy: -93.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1341.560558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.560558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.560558 (E_RNA)
where:
Base-Base interactions energy: -862.723
where: short stacking energy: -382.444
Base-Backbone interact. energy: -1.252
local terms energy: -477.585765
where:
bonds (distance) C4'-P energy: -82.748
bonds (distance) P-C4' energy: -96.818
flat angles C4'-P-C4' energy: -120.427
flat angles P-C4'-P energy: -73.505
tors. eta vs tors. theta energy: -104.087
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: 2
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1177.335885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.335885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.335885 (E_RNA)
where:
Base-Base interactions energy: -767.133
where: short stacking energy: -346.363
Base-Backbone interact. energy: 4.252
local terms energy: -414.454985
where:
bonds (distance) C4'-P energy: -85.308
bonds (distance) P-C4' energy: -93.206
flat angles C4'-P-C4' energy: -95.124
flat angles P-C4'-P energy: -59.086
tors. eta vs tors. theta energy: -81.730
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: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1115.338226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.338226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.338226 (E_RNA)
where:
Base-Base interactions energy: -725.209
where: short stacking energy: -329.473
Base-Backbone interact. energy: 2.349
local terms energy: -392.477782
where:
bonds (distance) C4'-P energy: -92.260
bonds (distance) P-C4' energy: -81.805
flat angles C4'-P-C4' energy: -100.680
flat angles P-C4'-P energy: -52.182
tors. eta vs tors. theta energy: -65.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -963.837895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.837895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.837895 (E_RNA)
where:
Base-Base interactions energy: -562.358
where: short stacking energy: -267.072
Base-Backbone interact. energy: 3.884
local terms energy: -405.364196
where:
bonds (distance) C4'-P energy: -97.655
bonds (distance) P-C4' energy: -93.741
flat angles C4'-P-C4' energy: -103.721
flat angles P-C4'-P energy: -49.937
tors. eta vs tors. theta energy: -60.310
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: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -680.163313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.163313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.163313 (E_RNA)
where:
Base-Base interactions energy: -361.334
where: short stacking energy: -202.535
Base-Backbone interact. energy: -2.931
local terms energy: -315.898448
where:
bonds (distance) C4'-P energy: -78.639
bonds (distance) P-C4' energy: -95.631
flat angles C4'-P-C4' energy: -75.641
flat angles P-C4'-P energy: -46.953
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: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1801.824651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.824651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.824651 (E_RNA)
where:
Base-Base interactions energy: -1226.329
where: short stacking energy: -550.827
Base-Backbone interact. energy: -2.359
local terms energy: -573.136194
where:
bonds (distance) C4'-P energy: -101.979
bonds (distance) P-C4' energy: -109.564
flat angles C4'-P-C4' energy: -124.754
flat angles P-C4'-P energy: -74.796
tors. eta vs tors. theta energy: -162.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1697.673150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.673150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.673150 (E_RNA)
where:
Base-Base interactions energy: -1142.374
where: short stacking energy: -510.614
Base-Backbone interact. energy: -3.766
local terms energy: -551.533064
where:
bonds (distance) C4'-P energy: -113.037
bonds (distance) P-C4' energy: -91.683
flat angles C4'-P-C4' energy: -119.869
flat angles P-C4'-P energy: -81.290
tors. eta vs tors. theta energy: -145.654
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: 3, replica: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1566.813462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.813462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.813462 (E_RNA)
where:
Base-Base interactions energy: -1036.818
where: short stacking energy: -446.352
Base-Backbone interact. energy: -2.785
local terms energy: -527.210272
where:
bonds (distance) C4'-P energy: -90.504
bonds (distance) P-C4' energy: -110.642
flat angles C4'-P-C4' energy: -111.554
flat angles P-C4'-P energy: -85.014
tors. eta vs tors. theta energy: -129.496
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: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1485.083613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.083613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.083613 (E_RNA)
where:
Base-Base interactions energy: -986.109
where: short stacking energy: -434.155
Base-Backbone interact. energy: -2.488
local terms energy: -496.487252
where:
bonds (distance) C4'-P energy: -84.255
bonds (distance) P-C4' energy: -93.446
flat angles C4'-P-C4' energy: -117.233
flat angles P-C4'-P energy: -77.952
tors. eta vs tors. theta energy: -123.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1332.255141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.255141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.255141 (E_RNA)
where:
Base-Base interactions energy: -852.643
where: short stacking energy: -383.867
Base-Backbone interact. energy: -2.668
local terms energy: -476.944176
where:
bonds (distance) C4'-P energy: -104.071
bonds (distance) P-C4' energy: -97.334
flat angles C4'-P-C4' energy: -110.262
flat angles P-C4'-P energy: -59.380
tors. eta vs tors. theta energy: -105.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1319.533480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.533480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.533480 (E_RNA)
where:
Base-Base interactions energy: -873.858
where: short stacking energy: -359.975
Base-Backbone interact. energy: -1.700
local terms energy: -443.974735
where:
bonds (distance) C4'-P energy: -98.382
bonds (distance) P-C4' energy: -109.371
flat angles C4'-P-C4' energy: -85.141
flat angles P-C4'-P energy: -70.569
tors. eta vs tors. theta energy: -80.511
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: 7, replica: 2
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1188.243800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.243800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.243800 (E_RNA)
where:
Base-Base interactions energy: -726.250
where: short stacking energy: -329.540
Base-Backbone interact. energy: 2.329
local terms energy: -464.323203
where:
bonds (distance) C4'-P energy: -93.134
bonds (distance) P-C4' energy: -104.764
flat angles C4'-P-C4' energy: -109.571
flat angles P-C4'-P energy: -71.803
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: 8, replica: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -1142.421435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.421435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.421435 (E_RNA)
where:
Base-Base interactions energy: -757.697
where: short stacking energy: -348.052
Base-Backbone interact. energy: -0.407
local terms energy: -384.318079
where:
bonds (distance) C4'-P energy: -107.165
bonds (distance) P-C4' energy: -83.364
flat angles C4'-P-C4' energy: -84.125
flat angles P-C4'-P energy: -44.828
tors. eta vs tors. theta energy: -64.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -927.177155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.177155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.177155 (E_RNA)
where:
Base-Base interactions energy: -585.160
where: short stacking energy: -274.374
Base-Backbone interact. energy: 0.156
local terms energy: -342.172888
where:
bonds (distance) C4'-P energy: -92.321
bonds (distance) P-C4' energy: -76.141
flat angles C4'-P-C4' energy: -84.879
flat angles P-C4'-P energy: -41.089
tors. eta vs tors. theta energy: -47.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -590.388660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.388660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.388660 (E_RNA)
where:
Base-Base interactions energy: -293.368
where: short stacking energy: -157.556
Base-Backbone interact. energy: -1.468
local terms energy: -295.552580
where:
bonds (distance) C4'-P energy: -87.852
bonds (distance) P-C4' energy: -94.429
flat angles C4'-P-C4' energy: -73.070
flat angles P-C4'-P energy: -45.745
tors. eta vs tors. theta energy: 5.544
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: 1, replica: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1813.187781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.187781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.187781 (E_RNA)
where:
Base-Base interactions energy: -1193.674
where: short stacking energy: -544.111
Base-Backbone interact. energy: -5.121
local terms energy: -614.392251
where:
bonds (distance) C4'-P energy: -109.445
bonds (distance) P-C4' energy: -117.448
flat angles C4'-P-C4' energy: -128.083
flat angles P-C4'-P energy: -91.266
tors. eta vs tors. theta energy: -168.150
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: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1679.469368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.469368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.469368 (E_RNA)
where:
Base-Base interactions energy: -1126.724
where: short stacking energy: -507.602
Base-Backbone interact. energy: -2.028
local terms energy: -550.716653
where:
bonds (distance) C4'-P energy: -106.496
bonds (distance) P-C4' energy: -116.640
flat angles C4'-P-C4' energy: -116.361
flat angles P-C4'-P energy: -77.419
tors. eta vs tors. theta energy: -133.801
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: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1606.495498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.495498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.495498 (E_RNA)
where:
Base-Base interactions energy: -1063.996
where: short stacking energy: -461.725
Base-Backbone interact. energy: -1.750
local terms energy: -540.749084
where:
bonds (distance) C4'-P energy: -103.166
bonds (distance) P-C4' energy: -108.214
flat angles C4'-P-C4' energy: -125.469
flat angles P-C4'-P energy: -79.163
tors. eta vs tors. theta energy: -124.737
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: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1474.943150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.943150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.943150 (E_RNA)
where:
Base-Base interactions energy: -992.459
where: short stacking energy: -440.492
Base-Backbone interact. energy: -2.434
local terms energy: -480.049612
where:
bonds (distance) C4'-P energy: -106.473
bonds (distance) P-C4' energy: -90.718
flat angles C4'-P-C4' energy: -104.747
flat angles P-C4'-P energy: -78.100
tors. eta vs tors. theta energy: -100.012
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: 5, replica: 9
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1375.042756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.042756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.042756 (E_RNA)
where:
Base-Base interactions energy: -894.190
where: short stacking energy: -414.062
Base-Backbone interact. energy: -0.047
local terms energy: -480.805818
where:
bonds (distance) C4'-P energy: -108.175
bonds (distance) P-C4' energy: -96.413
flat angles C4'-P-C4' energy: -103.940
flat angles P-C4'-P energy: -78.354
tors. eta vs tors. theta energy: -93.924
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: 8
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1391.871250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.871250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.871250 (E_RNA)
where:
Base-Base interactions energy: -948.076
where: short stacking energy: -373.140
Base-Backbone interact. energy: -2.146
local terms energy: -441.649287
where:
bonds (distance) C4'-P energy: -82.737
bonds (distance) P-C4' energy: -100.316
flat angles C4'-P-C4' energy: -102.249
flat angles P-C4'-P energy: -59.800
tors. eta vs tors. theta energy: -96.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1196.107080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.107080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.107080 (E_RNA)
where:
Base-Base interactions energy: -825.513
where: short stacking energy: -348.454
Base-Backbone interact. energy: -0.157
local terms energy: -370.436862
where:
bonds (distance) C4'-P energy: -84.736
bonds (distance) P-C4' energy: -87.813
flat angles C4'-P-C4' energy: -97.046
flat angles P-C4'-P energy: -35.284
tors. eta vs tors. theta energy: -65.558
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: 2
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -1173.349685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.349685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.349685 (E_RNA)
where:
Base-Base interactions energy: -745.777
where: short stacking energy: -342.178
Base-Backbone interact. energy: -1.714
local terms energy: -425.858809
where:
bonds (distance) C4'-P energy: -89.319
bonds (distance) P-C4' energy: -94.570
flat angles C4'-P-C4' energy: -95.867
flat angles P-C4'-P energy: -61.523
tors. eta vs tors. theta energy: -84.580
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: 3
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -924.174855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.174855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.174855 (E_RNA)
where:
Base-Base interactions energy: -568.928
where: short stacking energy: -259.799
Base-Backbone interact. energy: 0.462
local terms energy: -355.708883
where:
bonds (distance) C4'-P energy: -71.820
bonds (distance) P-C4' energy: -102.122
flat angles C4'-P-C4' energy: -88.993
flat angles P-C4'-P energy: -49.507
tors. eta vs tors. theta energy: -43.267
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: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -580.205357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.205357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.205357 (E_RNA)
where:
Base-Base interactions energy: -284.495
where: short stacking energy: -173.060
Base-Backbone interact. energy: 3.440
local terms energy: -299.150013
where:
bonds (distance) C4'-P energy: -62.042
bonds (distance) P-C4' energy: -97.830
flat angles C4'-P-C4' energy: -83.547
flat angles P-C4'-P energy: -49.102
tors. eta vs tors. theta energy: -6.629
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: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1793.013423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.013423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.013423 (E_RNA)
where:
Base-Base interactions energy: -1217.510
where: short stacking energy: -539.632
Base-Backbone interact. energy: -5.126
local terms energy: -570.377417
where:
bonds (distance) C4'-P energy: -119.126
bonds (distance) P-C4' energy: -105.148
flat angles C4'-P-C4' energy: -115.550
flat angles P-C4'-P energy: -75.641
tors. eta vs tors. theta energy: -154.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1672.547814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.547814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.547814 (E_RNA)
where:
Base-Base interactions energy: -1106.746
where: short stacking energy: -504.603
Base-Backbone interact. energy: -1.597
local terms energy: -564.204922
where:
bonds (distance) C4'-P energy: -96.490
bonds (distance) P-C4' energy: -118.224
flat angles C4'-P-C4' energy: -121.053
flat angles P-C4'-P energy: -78.307
tors. eta vs tors. theta energy: -150.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1607.271949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.271949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.271949 (E_RNA)
where:
Base-Base interactions energy: -1061.965
where: short stacking energy: -484.281
Base-Backbone interact. energy: -1.234
local terms energy: -544.072075
where:
bonds (distance) C4'-P energy: -104.277
bonds (distance) P-C4' energy: -107.975
flat angles C4'-P-C4' energy: -107.553
flat angles P-C4'-P energy: -81.606
tors. eta vs tors. theta energy: -142.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1443.666372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.666372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.666372 (E_RNA)
where:
Base-Base interactions energy: -953.277
where: short stacking energy: -430.348
Base-Backbone interact. energy: 1.460
local terms energy: -491.849080
where:
bonds (distance) C4'-P energy: -97.601
bonds (distance) P-C4' energy: -100.162
flat angles C4'-P-C4' energy: -114.928
flat angles P-C4'-P energy: -67.571
tors. eta vs tors. theta energy: -111.588
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: 5
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1440.515756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.515756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.515756 (E_RNA)
where:
Base-Base interactions energy: -945.534
where: short stacking energy: -414.638
Base-Backbone interact. energy: -1.607
local terms energy: -493.374668
where:
bonds (distance) C4'-P energy: -116.965
bonds (distance) P-C4' energy: -95.766
flat angles C4'-P-C4' energy: -107.604
flat angles P-C4'-P energy: -72.763
tors. eta vs tors. theta energy: -100.277
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: 6, replica: 8
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1362.585079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.585079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.585079 (E_RNA)
where:
Base-Base interactions energy: -921.193
where: short stacking energy: -415.747
Base-Backbone interact. energy: -1.026
local terms energy: -440.367047
where:
bonds (distance) C4'-P energy: -77.339
bonds (distance) P-C4' energy: -99.828
flat angles C4'-P-C4' energy: -93.816
flat angles P-C4'-P energy: -66.787
tors. eta vs tors. theta energy: -102.597
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: 7, replica: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1267.720224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.720224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.720224 (E_RNA)
where:
Base-Base interactions energy: -846.667
where: short stacking energy: -367.600
Base-Backbone interact. energy: 2.144
local terms energy: -423.197357
where:
bonds (distance) C4'-P energy: -89.495
bonds (distance) P-C4' energy: -83.134
flat angles C4'-P-C4' energy: -104.213
flat angles P-C4'-P energy: -72.458
tors. eta vs tors. theta energy: -73.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1104.204588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.204588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.204588 (E_RNA)
where:
Base-Base interactions energy: -693.741
where: short stacking energy: -323.235
Base-Backbone interact. energy: -0.174
local terms energy: -410.289503
where:
bonds (distance) C4'-P energy: -86.299
bonds (distance) P-C4' energy: -102.371
flat angles C4'-P-C4' energy: -101.211
flat angles P-C4'-P energy: -43.918
tors. eta vs tors. theta energy: -76.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -887.967361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.967361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.967361 (E_RNA)
where:
Base-Base interactions energy: -570.596
where: short stacking energy: -269.051
Base-Backbone interact. energy: -1.679
local terms energy: -315.692167
where:
bonds (distance) C4'-P energy: -69.146
bonds (distance) P-C4' energy: -83.938
flat angles C4'-P-C4' energy: -75.151
flat angles P-C4'-P energy: -40.113
tors. eta vs tors. theta energy: -47.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -510.754457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.754457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.754457 (E_RNA)
where:
Base-Base interactions energy: -245.481
where: short stacking energy: -146.116
Base-Backbone interact. energy: -1.912
local terms energy: -263.361194
where:
bonds (distance) C4'-P energy: -73.796
bonds (distance) P-C4' energy: -86.244
flat angles C4'-P-C4' energy: -67.883
flat angles P-C4'-P energy: -54.740
tors. eta vs tors. theta energy: 19.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1774.474477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.474477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.474477 (E_RNA)
where:
Base-Base interactions energy: -1198.720
where: short stacking energy: -528.530
Base-Backbone interact. energy: -5.443
local terms energy: -570.312317
where:
bonds (distance) C4'-P energy: -107.152
bonds (distance) P-C4' energy: -111.253
flat angles C4'-P-C4' energy: -117.835
flat angles P-C4'-P energy: -83.056
tors. eta vs tors. theta energy: -151.016
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: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1667.131187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.131187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.131187 (E_RNA)
where:
Base-Base interactions energy: -1114.856
where: short stacking energy: -506.289
Base-Backbone interact. energy: -3.263
local terms energy: -549.012185
where:
bonds (distance) C4'-P energy: -105.783
bonds (distance) P-C4' energy: -111.676
flat angles C4'-P-C4' energy: -112.482
flat angles P-C4'-P energy: -77.261
tors. eta vs tors. theta energy: -141.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1589.685020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.685020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.685020 (E_RNA)
where:
Base-Base interactions energy: -1059.601
where: short stacking energy: -454.026
Base-Backbone interact. energy: -4.037
local terms energy: -526.047577
where:
bonds (distance) C4'-P energy: -105.115
bonds (distance) P-C4' energy: -106.376
flat angles C4'-P-C4' energy: -125.777
flat angles P-C4'-P energy: -65.506
tors. eta vs tors. theta energy: -123.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1445.947752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.947752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.947752 (E_RNA)
where:
Base-Base interactions energy: -968.132
where: short stacking energy: -413.639
Base-Backbone interact. energy: -3.516
local terms energy: -474.299768
where:
bonds (distance) C4'-P energy: -96.310
bonds (distance) P-C4' energy: -95.742
flat angles C4'-P-C4' energy: -112.532
flat angles P-C4'-P energy: -65.854
tors. eta vs tors. theta energy: -103.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1403.569242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.569242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.569242 (E_RNA)
where:
Base-Base interactions energy: -930.159
where: short stacking energy: -408.460
Base-Backbone interact. energy: -0.594
local terms energy: -472.815497
where:
bonds (distance) C4'-P energy: -103.627
bonds (distance) P-C4' energy: -101.677
flat angles C4'-P-C4' energy: -97.802
flat angles P-C4'-P energy: -75.748
tors. eta vs tors. theta energy: -93.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1368.007978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.007978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.007978 (E_RNA)
where:
Base-Base interactions energy: -899.479
where: short stacking energy: -379.918
Base-Backbone interact. energy: 1.364
local terms energy: -469.893552
where:
bonds (distance) C4'-P energy: -91.770
bonds (distance) P-C4' energy: -89.824
flat angles C4'-P-C4' energy: -118.936
flat angles P-C4'-P energy: -71.129
tors. eta vs tors. theta energy: -98.234
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: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1215.715709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.715709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.715709 (E_RNA)
where:
Base-Base interactions energy: -783.685
where: short stacking energy: -364.502
Base-Backbone interact. energy: -2.696
local terms energy: -429.335012
where:
bonds (distance) C4'-P energy: -99.230
bonds (distance) P-C4' energy: -103.243
flat angles C4'-P-C4' energy: -90.842
flat angles P-C4'-P energy: -70.843
tors. eta vs tors. theta energy: -65.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1066.234607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.234607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.234607 (E_RNA)
where:
Base-Base interactions energy: -686.255
where: short stacking energy: -311.982
Base-Backbone interact. energy: 1.334
local terms energy: -381.313825
where:
bonds (distance) C4'-P energy: -77.730
bonds (distance) P-C4' energy: -93.046
flat angles C4'-P-C4' energy: -87.370
flat angles P-C4'-P energy: -56.570
tors. eta vs tors. theta energy: -66.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -887.390132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.390132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.390132 (E_RNA)
where:
Base-Base interactions energy: -548.571
where: short stacking energy: -245.118
Base-Backbone interact. energy: 0.837
local terms energy: -339.656083
where:
bonds (distance) C4'-P energy: -82.793
bonds (distance) P-C4' energy: -100.296
flat angles C4'-P-C4' energy: -93.466
flat angles P-C4'-P energy: -38.895
tors. eta vs tors. theta energy: -24.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -513.362029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.362029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.362029 (E_RNA)
where:
Base-Base interactions energy: -242.337
where: short stacking energy: -150.869
Base-Backbone interact. energy: 3.657
local terms energy: -274.681623
where:
bonds (distance) C4'-P energy: -91.474
bonds (distance) P-C4' energy: -92.476
flat angles C4'-P-C4' energy: -55.137
flat angles P-C4'-P energy: -45.772
tors. eta vs tors. theta energy: 10.177
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: 1, replica: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1785.666998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.666998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.666998 (E_RNA)
where:
Base-Base interactions energy: -1203.802
where: short stacking energy: -529.767
Base-Backbone interact. energy: -3.013
local terms energy: -578.852902
where:
bonds (distance) C4'-P energy: -108.529
bonds (distance) P-C4' energy: -111.837
flat angles C4'-P-C4' energy: -124.601
flat angles P-C4'-P energy: -76.964
tors. eta vs tors. theta energy: -156.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1688.080408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.080408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.080408 (E_RNA)
where:
Base-Base interactions energy: -1139.096
where: short stacking energy: -493.956
Base-Backbone interact. energy: -2.155
local terms energy: -546.829137
where:
bonds (distance) C4'-P energy: -97.287
bonds (distance) P-C4' energy: -111.616
flat angles C4'-P-C4' energy: -119.750
flat angles P-C4'-P energy: -72.812
tors. eta vs tors. theta energy: -145.365
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: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1596.775319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.775319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.775319 (E_RNA)
where:
Base-Base interactions energy: -1075.914
where: short stacking energy: -478.931
Base-Backbone interact. energy: -4.147
local terms energy: -516.715039
where:
bonds (distance) C4'-P energy: -96.058
bonds (distance) P-C4' energy: -104.285
flat angles C4'-P-C4' energy: -117.409
flat angles P-C4'-P energy: -76.328
tors. eta vs tors. theta energy: -122.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1421.317947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.317947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.317947 (E_RNA)
where:
Base-Base interactions energy: -943.476
where: short stacking energy: -422.341
Base-Backbone interact. energy: -2.077
local terms energy: -475.764463
where:
bonds (distance) C4'-P energy: -84.172
bonds (distance) P-C4' energy: -104.452
flat angles C4'-P-C4' energy: -113.239
flat angles P-C4'-P energy: -65.123
tors. eta vs tors. theta energy: -108.780
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: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1392.584056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.584056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.584056 (E_RNA)
where:
Base-Base interactions energy: -924.460
where: short stacking energy: -416.380
Base-Backbone interact. energy: -0.757
local terms energy: -467.367591
where:
bonds (distance) C4'-P energy: -88.838
bonds (distance) P-C4' energy: -102.314
flat angles C4'-P-C4' energy: -100.906
flat angles P-C4'-P energy: -68.299
tors. eta vs tors. theta energy: -107.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1390.688283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.688283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.688283 (E_RNA)
where:
Base-Base interactions energy: -942.724
where: short stacking energy: -392.622
Base-Backbone interact. energy: 2.217
local terms energy: -450.180748
where:
bonds (distance) C4'-P energy: -92.336
bonds (distance) P-C4' energy: -87.703
flat angles C4'-P-C4' energy: -96.835
flat angles P-C4'-P energy: -71.856
tors. eta vs tors. theta energy: -101.450
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: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1196.799292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.799292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.799292 (E_RNA)
where:
Base-Base interactions energy: -783.640
where: short stacking energy: -327.380
Base-Backbone interact. energy: -2.964
local terms energy: -410.195867
where:
bonds (distance) C4'-P energy: -77.234
bonds (distance) P-C4' energy: -93.028
flat angles C4'-P-C4' energy: -110.643
flat angles P-C4'-P energy: -49.167
tors. eta vs tors. theta energy: -80.124
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: 8, replica: 2
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1055.867345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.867345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.867345 (E_RNA)
where:
Base-Base interactions energy: -675.074
where: short stacking energy: -296.412
Base-Backbone interact. energy: 1.714
local terms energy: -382.507683
where:
bonds (distance) C4'-P energy: -94.170
bonds (distance) P-C4' energy: -80.806
flat angles C4'-P-C4' energy: -86.205
flat angles P-C4'-P energy: -69.996
tors. eta vs tors. theta energy: -51.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -903.900614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.900614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.900614 (E_RNA)
where:
Base-Base interactions energy: -553.792
where: short stacking energy: -238.024
Base-Backbone interact. energy: -1.320
local terms energy: -348.788682
where:
bonds (distance) C4'-P energy: -83.504
bonds (distance) P-C4' energy: -88.306
flat angles C4'-P-C4' energy: -85.348
flat angles P-C4'-P energy: -55.925
tors. eta vs tors. theta energy: -35.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -500.275616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.275616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.275616 (E_RNA)
where:
Base-Base interactions energy: -202.722
where: short stacking energy: -143.249
Base-Backbone interact. energy: 1.033
local terms energy: -298.586220
where:
bonds (distance) C4'-P energy: -89.653
bonds (distance) P-C4' energy: -86.025
flat angles C4'-P-C4' energy: -86.774
flat angles P-C4'-P energy: -46.987
tors. eta vs tors. theta energy: 10.853
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: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1782.246685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.246685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.246685 (E_RNA)
where:
Base-Base interactions energy: -1210.558
where: short stacking energy: -540.118
Base-Backbone interact. energy: -1.503
local terms energy: -570.185595
where:
bonds (distance) C4'-P energy: -111.453
bonds (distance) P-C4' energy: -103.345
flat angles C4'-P-C4' energy: -128.664
flat angles P-C4'-P energy: -77.653
tors. eta vs tors. theta energy: -149.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1663.616196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.616196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.616196 (E_RNA)
where:
Base-Base interactions energy: -1124.220
where: short stacking energy: -503.621
Base-Backbone interact. energy: -1.873
local terms energy: -537.523361
where:
bonds (distance) C4'-P energy: -95.875
bonds (distance) P-C4' energy: -95.094
flat angles C4'-P-C4' energy: -119.659
flat angles P-C4'-P energy: -81.911
tors. eta vs tors. theta energy: -144.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1555.752575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.752575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.752575 (E_RNA)
where:
Base-Base interactions energy: -1046.676
where: short stacking energy: -460.390
Base-Backbone interact. energy: -1.946
local terms energy: -507.130990
where:
bonds (distance) C4'-P energy: -91.842
bonds (distance) P-C4' energy: -108.202
flat angles C4'-P-C4' energy: -112.556
flat angles P-C4'-P energy: -77.800
tors. eta vs tors. theta energy: -116.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1438.908794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.908794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.908794 (E_RNA)
where:
Base-Base interactions energy: -934.404
where: short stacking energy: -393.031
Base-Backbone interact. energy: 0.422
local terms energy: -504.927037
where:
bonds (distance) C4'-P energy: -113.886
bonds (distance) P-C4' energy: -102.948
flat angles C4'-P-C4' energy: -111.477
flat angles P-C4'-P energy: -87.233
tors. eta vs tors. theta energy: -89.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1439.126004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.126004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.126004 (E_RNA)
where:
Base-Base interactions energy: -932.160
where: short stacking energy: -420.251
Base-Backbone interact. energy: 5.492
local terms energy: -512.457590
where:
bonds (distance) C4'-P energy: -99.028
bonds (distance) P-C4' energy: -98.457
flat angles C4'-P-C4' energy: -108.977
flat angles P-C4'-P energy: -81.500
tors. eta vs tors. theta energy: -124.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1328.146060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.146060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.146060 (E_RNA)
where:
Base-Base interactions energy: -882.987
where: short stacking energy: -391.649
Base-Backbone interact. energy: 0.187
local terms energy: -445.346175
where:
bonds (distance) C4'-P energy: -86.166
bonds (distance) P-C4' energy: -93.635
flat angles C4'-P-C4' energy: -106.645
flat angles P-C4'-P energy: -64.486
tors. eta vs tors. theta energy: -94.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1181.537063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.537063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.537063 (E_RNA)
where:
Base-Base interactions energy: -769.755
where: short stacking energy: -364.906
Base-Backbone interact. energy: 0.370
local terms energy: -412.152209
where:
bonds (distance) C4'-P energy: -76.563
bonds (distance) P-C4' energy: -101.706
flat angles C4'-P-C4' energy: -101.661
flat angles P-C4'-P energy: -49.173
tors. eta vs tors. theta energy: -83.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1020.456471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.456471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.456471 (E_RNA)
where:
Base-Base interactions energy: -652.332
where: short stacking energy: -308.418
Base-Backbone interact. energy: 1.538
local terms energy: -369.662949
where:
bonds (distance) C4'-P energy: -90.449
bonds (distance) P-C4' energy: -94.683
flat angles C4'-P-C4' energy: -91.883
flat angles P-C4'-P energy: -44.342
tors. eta vs tors. theta energy: -48.306
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: 3
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -920.393429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.393429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.393429 (E_RNA)
where:
Base-Base interactions energy: -574.663
where: short stacking energy: -250.463
Base-Backbone interact. energy: -2.078
local terms energy: -343.652049
where:
bonds (distance) C4'-P energy: -80.538
bonds (distance) P-C4' energy: -79.106
flat angles C4'-P-C4' energy: -89.742
flat angles P-C4'-P energy: -48.659
tors. eta vs tors. theta energy: -45.607
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: 48
Temperature: 1.350000
Total energy: -527.750221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.750221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.750221 (E_RNA)
where:
Base-Base interactions energy: -227.207
where: short stacking energy: -139.239
Base-Backbone interact. energy: -1.100
local terms energy: -299.443626
where:
bonds (distance) C4'-P energy: -96.534
bonds (distance) P-C4' energy: -91.910
flat angles C4'-P-C4' energy: -93.573
flat angles P-C4'-P energy: -25.598
tors. eta vs tors. theta energy: 8.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1802.989967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.989967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.989967 (E_RNA)
where:
Base-Base interactions energy: -1225.996
where: short stacking energy: -511.270
Base-Backbone interact. energy: -2.837
local terms energy: -574.157480
where:
bonds (distance) C4'-P energy: -108.638
bonds (distance) P-C4' energy: -116.516
flat angles C4'-P-C4' energy: -116.013
flat angles P-C4'-P energy: -85.650
tors. eta vs tors. theta energy: -147.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1678.476367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.476367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.476367 (E_RNA)
where:
Base-Base interactions energy: -1139.970
where: short stacking energy: -503.398
Base-Backbone interact. energy: -1.027
local terms energy: -537.479366
where:
bonds (distance) C4'-P energy: -105.301
bonds (distance) P-C4' energy: -102.433
flat angles C4'-P-C4' energy: -110.713
flat angles P-C4'-P energy: -77.880
tors. eta vs tors. theta energy: -141.152
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: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1558.190578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.190578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.190578 (E_RNA)
where:
Base-Base interactions energy: -1029.206
where: short stacking energy: -447.593
Base-Backbone interact. energy: -0.203
local terms energy: -528.781869
where:
bonds (distance) C4'-P energy: -94.870
bonds (distance) P-C4' energy: -107.768
flat angles C4'-P-C4' energy: -123.108
flat angles P-C4'-P energy: -78.547
tors. eta vs tors. theta energy: -124.489
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: 4, replica: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1433.419362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.419362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.419362 (E_RNA)
where:
Base-Base interactions energy: -934.855
where: short stacking energy: -421.658
Base-Backbone interact. energy: -1.439
local terms energy: -497.124943
where:
bonds (distance) C4'-P energy: -90.195
bonds (distance) P-C4' energy: -113.655
flat angles C4'-P-C4' energy: -109.880
flat angles P-C4'-P energy: -68.983
tors. eta vs tors. theta energy: -114.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1356.260990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.260990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.260990 (E_RNA)
where:
Base-Base interactions energy: -909.165
where: short stacking energy: -434.777
Base-Backbone interact. energy: 0.966
local terms energy: -448.061281
where:
bonds (distance) C4'-P energy: -86.601
bonds (distance) P-C4' energy: -98.802
flat angles C4'-P-C4' energy: -87.545
flat angles P-C4'-P energy: -67.436
tors. eta vs tors. theta energy: -107.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1256.656020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.656020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.656020 (E_RNA)
where:
Base-Base interactions energy: -810.172
where: short stacking energy: -353.719
Base-Backbone interact. energy: -2.684
local terms energy: -443.799515
where:
bonds (distance) C4'-P energy: -100.790
bonds (distance) P-C4' energy: -109.415
flat angles C4'-P-C4' energy: -96.008
flat angles P-C4'-P energy: -60.100
tors. eta vs tors. theta energy: -77.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1270.907735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.907735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.907735 (E_RNA)
where:
Base-Base interactions energy: -860.097
where: short stacking energy: -374.445
Base-Backbone interact. energy: 0.914
local terms energy: -411.724315
where:
bonds (distance) C4'-P energy: -86.053
bonds (distance) P-C4' energy: -100.148
flat angles C4'-P-C4' energy: -98.755
flat angles P-C4'-P energy: -47.301
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: 8, replica: 2
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -992.672261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.672261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.672261 (E_RNA)
where:
Base-Base interactions energy: -622.466
where: short stacking energy: -266.598
Base-Backbone interact. energy: 3.157
local terms energy: -373.362469
where:
bonds (distance) C4'-P energy: -96.896
bonds (distance) P-C4' energy: -101.889
flat angles C4'-P-C4' energy: -76.061
flat angles P-C4'-P energy: -48.571
tors. eta vs tors. theta energy: -49.945
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: 9, replica: 3
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -995.911282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.911282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.911282 (E_RNA)
where:
Base-Base interactions energy: -604.065
where: short stacking energy: -286.462
Base-Backbone interact. energy: 0.434
local terms energy: -392.280269
where:
bonds (distance) C4'-P energy: -88.826
bonds (distance) P-C4' energy: -91.265
flat angles C4'-P-C4' energy: -82.928
flat angles P-C4'-P energy: -67.177
tors. eta vs tors. theta energy: -62.085
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: 49
Temperature: 1.350000
Total energy: -515.811899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.811899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.811899 (E_RNA)
where:
Base-Base interactions energy: -228.085
where: short stacking energy: -147.748
Base-Backbone interact. energy: 3.431
local terms energy: -291.158326
where:
bonds (distance) C4'-P energy: -95.182
bonds (distance) P-C4' energy: -90.771
flat angles C4'-P-C4' energy: -78.557
flat angles P-C4'-P energy: -36.991
tors. eta vs tors. theta energy: 10.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1824.275521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.275521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.275521 (E_RNA)
where:
Base-Base interactions energy: -1253.307
where: short stacking energy: -540.426
Base-Backbone interact. energy: -6.449
local terms energy: -564.519232
where:
bonds (distance) C4'-P energy: -110.457
bonds (distance) P-C4' energy: -98.084
flat angles C4'-P-C4' energy: -120.103
flat angles P-C4'-P energy: -76.351
tors. eta vs tors. theta energy: -159.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1729.498305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.498305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.498305 (E_RNA)
where:
Base-Base interactions energy: -1183.678
where: short stacking energy: -516.382
Base-Backbone interact. energy: -3.813
local terms energy: -542.006435
where:
bonds (distance) C4'-P energy: -103.892
bonds (distance) P-C4' energy: -106.285
flat angles C4'-P-C4' energy: -115.630
flat angles P-C4'-P energy: -67.058
tors. eta vs tors. theta energy: -149.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1596.034309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.034309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.034309 (E_RNA)
where:
Base-Base interactions energy: -1075.840
where: short stacking energy: -490.580
Base-Backbone interact. energy: -2.689
local terms energy: -517.505744
where:
bonds (distance) C4'-P energy: -93.854
bonds (distance) P-C4' energy: -102.268
flat angles C4'-P-C4' energy: -112.018
flat angles P-C4'-P energy: -80.504
tors. eta vs tors. theta energy: -128.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1439.068130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.068130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.068130 (E_RNA)
where:
Base-Base interactions energy: -943.267
where: short stacking energy: -410.416
Base-Backbone interact. energy: -1.863
local terms energy: -493.938992
where:
bonds (distance) C4'-P energy: -104.664
bonds (distance) P-C4' energy: -108.345
flat angles C4'-P-C4' energy: -103.486
flat angles P-C4'-P energy: -65.400
tors. eta vs tors. theta energy: -112.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1334.691146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.691146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.691146 (E_RNA)
where:
Base-Base interactions energy: -880.622
where: short stacking energy: -403.073
Base-Backbone interact. energy: -3.290
local terms energy: -450.779302
where:
bonds (distance) C4'-P energy: -96.512
bonds (distance) P-C4' energy: -88.564
flat angles C4'-P-C4' energy: -85.102
flat angles P-C4'-P energy: -73.781
tors. eta vs tors. theta energy: -106.820
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: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1251.694377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.694377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.694377 (E_RNA)
where:
Base-Base interactions energy: -823.207
where: short stacking energy: -363.171
Base-Backbone interact. energy: 0.867
local terms energy: -429.353895
where:
bonds (distance) C4'-P energy: -88.400
bonds (distance) P-C4' energy: -82.378
flat angles C4'-P-C4' energy: -106.021
flat angles P-C4'-P energy: -64.094
tors. eta vs tors. theta energy: -88.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1279.334381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.334381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.334381 (E_RNA)
where:
Base-Base interactions energy: -852.061
where: short stacking energy: -360.220
Base-Backbone interact. energy: -1.515
local terms energy: -425.758324
where:
bonds (distance) C4'-P energy: -102.809
bonds (distance) P-C4' energy: -84.168
flat angles C4'-P-C4' energy: -102.991
flat angles P-C4'-P energy: -66.636
tors. eta vs tors. theta energy: -69.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -964.879772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.879772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.879772 (E_RNA)
where:
Base-Base interactions energy: -600.900
where: short stacking energy: -268.213
Base-Backbone interact. energy: -1.898
local terms energy: -362.082594
where:
bonds (distance) C4'-P energy: -97.724
bonds (distance) P-C4' energy: -98.474
flat angles C4'-P-C4' energy: -81.188
flat angles P-C4'-P energy: -57.285
tors. eta vs tors. theta energy: -27.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -974.630896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.630896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.630896 (E_RNA)
where:
Base-Base interactions energy: -613.428
where: short stacking energy: -271.024
Base-Backbone interact. energy: 0.328
local terms energy: -361.531010
where:
bonds (distance) C4'-P energy: -79.831
bonds (distance) P-C4' energy: -93.978
flat angles C4'-P-C4' energy: -92.762
flat angles P-C4'-P energy: -42.252
tors. eta vs tors. theta energy: -52.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -511.827394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.827394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.827394 (E_RNA)
where:
Base-Base interactions energy: -219.576
where: short stacking energy: -138.408
Base-Backbone interact. energy: 1.850
local terms energy: -294.100733
where:
bonds (distance) C4'-P energy: -79.059
bonds (distance) P-C4' energy: -84.844
flat angles C4'-P-C4' energy: -82.488
flat angles P-C4'-P energy: -57.767
tors. eta vs tors. theta energy: 10.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1788.203388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.203388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.203388 (E_RNA)
where:
Base-Base interactions energy: -1224.754
where: short stacking energy: -558.983
Base-Backbone interact. energy: -2.473
local terms energy: -560.977118
where:
bonds (distance) C4'-P energy: -102.475
bonds (distance) P-C4' energy: -105.514
flat angles C4'-P-C4' energy: -118.199
flat angles P-C4'-P energy: -77.842
tors. eta vs tors. theta energy: -156.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1723.692722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.692722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.692722 (E_RNA)
where:
Base-Base interactions energy: -1172.745
where: short stacking energy: -508.113
Base-Backbone interact. energy: -2.748
local terms energy: -548.199638
where:
bonds (distance) C4'-P energy: -99.880
bonds (distance) P-C4' energy: -100.902
flat angles C4'-P-C4' energy: -123.437
flat angles P-C4'-P energy: -78.154
tors. eta vs tors. theta energy: -145.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1595.657256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.657256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.657256 (E_RNA)
where:
Base-Base interactions energy: -1081.676
where: short stacking energy: -488.262
Base-Backbone interact. energy: -2.559
local terms energy: -511.422158
where:
bonds (distance) C4'-P energy: -92.395
bonds (distance) P-C4' energy: -108.280
flat angles C4'-P-C4' energy: -112.090
flat angles P-C4'-P energy: -79.485
tors. eta vs tors. theta energy: -119.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1415.142492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.142492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.142492 (E_RNA)
where:
Base-Base interactions energy: -937.620
where: short stacking energy: -411.806
Base-Backbone interact. energy: -1.659
local terms energy: -475.863511
where:
bonds (distance) C4'-P energy: -104.470
bonds (distance) P-C4' energy: -100.067
flat angles C4'-P-C4' energy: -104.258
flat angles P-C4'-P energy: -68.609
tors. eta vs tors. theta energy: -98.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1363.377523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.377523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.377523 (E_RNA)
where:
Base-Base interactions energy: -914.839
where: short stacking energy: -407.028
Base-Backbone interact. energy: -0.583
local terms energy: -447.955228
where:
bonds (distance) C4'-P energy: -88.375
bonds (distance) P-C4' energy: -102.849
flat angles C4'-P-C4' energy: -82.371
flat angles P-C4'-P energy: -72.852
tors. eta vs tors. theta energy: -101.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1349.192425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.192425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.192425 (E_RNA)
where:
Base-Base interactions energy: -896.413
where: short stacking energy: -414.415
Base-Backbone interact. energy: 1.696
local terms energy: -454.475955
where:
bonds (distance) C4'-P energy: -90.204
bonds (distance) P-C4' energy: -106.799
flat angles C4'-P-C4' energy: -94.187
flat angles P-C4'-P energy: -67.799
tors. eta vs tors. theta energy: -95.487
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: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1257.150348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.150348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.150348 (E_RNA)
where:
Base-Base interactions energy: -808.589
where: short stacking energy: -359.728
Base-Backbone interact. energy: 2.329
local terms energy: -450.890463
where:
bonds (distance) C4'-P energy: -95.765
bonds (distance) P-C4' energy: -104.439
flat angles C4'-P-C4' energy: -99.351
flat angles P-C4'-P energy: -70.764
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: 8, replica: 3
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -1006.336542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.336542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.336542 (E_RNA)
where:
Base-Base interactions energy: -641.943
where: short stacking energy: -285.686
Base-Backbone interact. energy: 0.764
local terms energy: -365.157745
where:
bonds (distance) C4'-P energy: -84.009
bonds (distance) P-C4' energy: -76.063
flat angles C4'-P-C4' energy: -90.662
flat angles P-C4'-P energy: -65.820
tors. eta vs tors. theta energy: -48.604
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: 2
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -1046.844475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.844475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.844475 (E_RNA)
where:
Base-Base interactions energy: -658.456
where: short stacking energy: -299.291
Base-Backbone interact. energy: -2.684
local terms energy: -385.704196
where:
bonds (distance) C4'-P energy: -94.151
bonds (distance) P-C4' energy: -95.250
flat angles C4'-P-C4' energy: -89.170
flat angles P-C4'-P energy: -59.189
tors. eta vs tors. theta energy: -47.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -517.218667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.218667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.218667 (E_RNA)
where:
Base-Base interactions energy: -217.813
where: short stacking energy: -151.280
Base-Backbone interact. energy: -0.359
local terms energy: -299.046135
where:
bonds (distance) C4'-P energy: -95.656
bonds (distance) P-C4' energy: -95.623
flat angles C4'-P-C4' energy: -72.753
flat angles P-C4'-P energy: -40.057
tors. eta vs tors. theta energy: 5.043
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: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1807.472853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.472853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.472853 (E_RNA)
where:
Base-Base interactions energy: -1236.826
where: short stacking energy: -530.750
Base-Backbone interact. energy: -2.717
local terms energy: -567.929153
where:
bonds (distance) C4'-P energy: -107.120
bonds (distance) P-C4' energy: -118.440
flat angles C4'-P-C4' energy: -119.217
flat angles P-C4'-P energy: -73.727
tors. eta vs tors. theta energy: -149.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1682.594751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.594751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.594751 (E_RNA)
where:
Base-Base interactions energy: -1140.630
where: short stacking energy: -525.538
Base-Backbone interact. energy: -3.116
local terms energy: -538.848687
where:
bonds (distance) C4'-P energy: -97.549
bonds (distance) P-C4' energy: -95.469
flat angles C4'-P-C4' energy: -120.436
flat angles P-C4'-P energy: -84.520
tors. eta vs tors. theta energy: -140.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1602.881642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.881642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.881642 (E_RNA)
where:
Base-Base interactions energy: -1063.038
where: short stacking energy: -465.210
Base-Backbone interact. energy: -0.885
local terms energy: -538.958943
where:
bonds (distance) C4'-P energy: -113.457
bonds (distance) P-C4' energy: -100.632
flat angles C4'-P-C4' energy: -125.162
flat angles P-C4'-P energy: -75.931
tors. eta vs tors. theta energy: -123.778
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: 4, replica: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1439.294997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.294997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.294997 (E_RNA)
where:
Base-Base interactions energy: -950.858
where: short stacking energy: -458.784
Base-Backbone interact. energy: 0.598
local terms energy: -489.034759
where:
bonds (distance) C4'-P energy: -99.502
bonds (distance) P-C4' energy: -94.831
flat angles C4'-P-C4' energy: -111.388
flat angles P-C4'-P energy: -75.747
tors. eta vs tors. theta energy: -107.566
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: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1365.359327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.359327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.359327 (E_RNA)
where:
Base-Base interactions energy: -918.031
where: short stacking energy: -423.988
Base-Backbone interact. energy: 0.179
local terms energy: -447.507889
where:
bonds (distance) C4'-P energy: -87.411
bonds (distance) P-C4' energy: -84.668
flat angles C4'-P-C4' energy: -103.515
flat angles P-C4'-P energy: -73.841
tors. eta vs tors. theta energy: -98.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1282.824798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.824798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.824798 (E_RNA)
where:
Base-Base interactions energy: -874.145
where: short stacking energy: -381.908
Base-Backbone interact. energy: -0.081
local terms energy: -408.599450
where:
bonds (distance) C4'-P energy: -62.030
bonds (distance) P-C4' energy: -110.502
flat angles C4'-P-C4' energy: -93.572
flat angles P-C4'-P energy: -62.058
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: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1212.260618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.260618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.260618 (E_RNA)
where:
Base-Base interactions energy: -815.098
where: short stacking energy: -353.393
Base-Backbone interact. energy: -0.883
local terms energy: -396.278910
where:
bonds (distance) C4'-P energy: -84.567
bonds (distance) P-C4' energy: -91.237
flat angles C4'-P-C4' energy: -93.624
flat angles P-C4'-P energy: -57.537
tors. eta vs tors. theta energy: -69.314
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: 8, replica: 3
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1018.967439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.967439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.967439 (E_RNA)
where:
Base-Base interactions energy: -641.629
where: short stacking energy: -302.777
Base-Backbone interact. energy: -2.438
local terms energy: -374.900918
where:
bonds (distance) C4'-P energy: -86.565
bonds (distance) P-C4' energy: -74.766
flat angles C4'-P-C4' energy: -91.372
flat angles P-C4'-P energy: -72.766
tors. eta vs tors. theta energy: -49.432
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: 9, replica: 2
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -1085.720097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.720097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.720097 (E_RNA)
where:
Base-Base interactions energy: -697.632
where: short stacking energy: -317.618
Base-Backbone interact. energy: 4.275
local terms energy: -392.363344
where:
bonds (distance) C4'-P energy: -80.638
bonds (distance) P-C4' energy: -94.285
flat angles C4'-P-C4' energy: -91.025
flat angles P-C4'-P energy: -63.533
tors. eta vs tors. theta energy: -62.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -507.839827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.839827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.839827 (E_RNA)
where:
Base-Base interactions energy: -237.851
where: short stacking energy: -128.056
Base-Backbone interact. energy: 2.537
local terms energy: -272.526612
where:
bonds (distance) C4'-P energy: -73.576
bonds (distance) P-C4' energy: -82.825
flat angles C4'-P-C4' energy: -83.628
flat angles P-C4'-P energy: -47.009
tors. eta vs tors. theta energy: 14.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1807.591450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.591450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.591450 (E_RNA)
where:
Base-Base interactions energy: -1236.242
where: short stacking energy: -548.205
Base-Backbone interact. energy: -4.334
local terms energy: -567.015379
where:
bonds (distance) C4'-P energy: -109.758
bonds (distance) P-C4' energy: -105.690
flat angles C4'-P-C4' energy: -113.640
flat angles P-C4'-P energy: -86.286
tors. eta vs tors. theta energy: -151.641
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: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1677.961502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.961502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.961502 (E_RNA)
where:
Base-Base interactions energy: -1144.774
where: short stacking energy: -515.922
Base-Backbone interact. energy: 0.094
local terms energy: -533.281816
where:
bonds (distance) C4'-P energy: -95.307
bonds (distance) P-C4' energy: -100.068
flat angles C4'-P-C4' energy: -113.942
flat angles P-C4'-P energy: -75.217
tors. eta vs tors. theta energy: -148.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1604.673443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.673443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.673443 (E_RNA)
where:
Base-Base interactions energy: -1065.448
where: short stacking energy: -476.245
Base-Backbone interact. energy: -3.179
local terms energy: -536.045877
where:
bonds (distance) C4'-P energy: -105.420
bonds (distance) P-C4' energy: -103.897
flat angles C4'-P-C4' energy: -105.305
flat angles P-C4'-P energy: -81.182
tors. eta vs tors. theta energy: -140.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1413.482469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.482469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.482469 (E_RNA)
where:
Base-Base interactions energy: -912.027
where: short stacking energy: -402.604
Base-Backbone interact. energy: -2.951
local terms energy: -498.504333
where:
bonds (distance) C4'-P energy: -93.705
bonds (distance) P-C4' energy: -115.480
flat angles C4'-P-C4' energy: -104.708
flat angles P-C4'-P energy: -71.843
tors. eta vs tors. theta energy: -112.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1371.796432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.796432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.796432 (E_RNA)
where:
Base-Base interactions energy: -902.197
where: short stacking energy: -380.736
Base-Backbone interact. energy: 2.636
local terms energy: -472.234679
where:
bonds (distance) C4'-P energy: -93.048
bonds (distance) P-C4' energy: -107.832
flat angles C4'-P-C4' energy: -115.744
flat angles P-C4'-P energy: -60.103
tors. eta vs tors. theta energy: -95.509
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: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1325.035169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.035169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.035169 (E_RNA)
where:
Base-Base interactions energy: -899.528
where: short stacking energy: -392.124
Base-Backbone interact. energy: -0.133
local terms energy: -425.374934
where:
bonds (distance) C4'-P energy: -92.727
bonds (distance) P-C4' energy: -96.460
flat angles C4'-P-C4' energy: -91.377
flat angles P-C4'-P energy: -58.029
tors. eta vs tors. theta energy: -86.781
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: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1221.457930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.457930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.457930 (E_RNA)
where:
Base-Base interactions energy: -793.385
where: short stacking energy: -328.028
Base-Backbone interact. energy: 2.234
local terms energy: -430.306991
where:
bonds (distance) C4'-P energy: -85.660
bonds (distance) P-C4' energy: -105.039
flat angles C4'-P-C4' energy: -109.678
flat angles P-C4'-P energy: -64.022
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: 8, replica: 2
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -1038.986738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.986738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.986738 (E_RNA)
where:
Base-Base interactions energy: -674.680
where: short stacking energy: -303.971
Base-Backbone interact. energy: -0.845
local terms energy: -363.462058
where:
bonds (distance) C4'-P energy: -93.887
bonds (distance) P-C4' energy: -84.007
flat angles C4'-P-C4' energy: -94.524
flat angles P-C4'-P energy: -48.691
tors. eta vs tors. theta energy: -42.352
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: 9, replica: 3
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -948.619143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.619143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.619143 (E_RNA)
where:
Base-Base interactions energy: -595.693
where: short stacking energy: -274.443
Base-Backbone interact. energy: 0.198
local terms energy: -353.124184
where:
bonds (distance) C4'-P energy: -91.970
bonds (distance) P-C4' energy: -88.445
flat angles C4'-P-C4' energy: -80.633
flat angles P-C4'-P energy: -49.343
tors. eta vs tors. theta energy: -42.732
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: 53
Temperature: 1.350000
Total energy: -510.357480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.357480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.357480 (E_RNA)
where:
Base-Base interactions energy: -243.552
where: short stacking energy: -156.032
Base-Backbone interact. energy: 4.181
local terms energy: -270.986695
where:
bonds (distance) C4'-P energy: -86.910
bonds (distance) P-C4' energy: -100.612
flat angles C4'-P-C4' energy: -66.720
flat angles P-C4'-P energy: -31.442
tors. eta vs tors. theta energy: 14.698
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: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1810.372453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.372453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.372453 (E_RNA)
where:
Base-Base interactions energy: -1224.099
where: short stacking energy: -524.116
Base-Backbone interact. energy: -6.251
local terms energy: -580.022084
where:
bonds (distance) C4'-P energy: -100.218
bonds (distance) P-C4' energy: -105.698
flat angles C4'-P-C4' energy: -129.760
flat angles P-C4'-P energy: -92.912
tors. eta vs tors. theta energy: -151.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1676.945992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.945992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.945992 (E_RNA)
where:
Base-Base interactions energy: -1142.994
where: short stacking energy: -513.921
Base-Backbone interact. energy: 0.582
local terms energy: -534.534475
where:
bonds (distance) C4'-P energy: -114.547
bonds (distance) P-C4' energy: -93.534
flat angles C4'-P-C4' energy: -117.105
flat angles P-C4'-P energy: -77.466
tors. eta vs tors. theta energy: -131.882
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: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1610.213247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.213247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.213247 (E_RNA)
where:
Base-Base interactions energy: -1071.089
where: short stacking energy: -456.066
Base-Backbone interact. energy: -2.742
local terms energy: -536.381629
where:
bonds (distance) C4'-P energy: -102.465
bonds (distance) P-C4' energy: -114.522
flat angles C4'-P-C4' energy: -121.467
flat angles P-C4'-P energy: -73.124
tors. eta vs tors. theta energy: -124.804
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: 8
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1422.442387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.442387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.442387 (E_RNA)
where:
Base-Base interactions energy: -924.689
where: short stacking energy: -437.930
Base-Backbone interact. energy: -2.646
local terms energy: -495.107345
where:
bonds (distance) C4'-P energy: -103.519
bonds (distance) P-C4' energy: -104.392
flat angles C4'-P-C4' energy: -105.476
flat angles P-C4'-P energy: -66.829
tors. eta vs tors. theta energy: -114.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1387.151023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.151023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.151023 (E_RNA)
where:
Base-Base interactions energy: -908.459
where: short stacking energy: -388.558
Base-Backbone interact. energy: 1.048
local terms energy: -479.739653
where:
bonds (distance) C4'-P energy: -107.487
bonds (distance) P-C4' energy: -103.719
flat angles C4'-P-C4' energy: -97.431
flat angles P-C4'-P energy: -73.948
tors. eta vs tors. theta energy: -97.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1276.750041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.750041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.750041 (E_RNA)
where:
Base-Base interactions energy: -830.197
where: short stacking energy: -366.767
Base-Backbone interact. energy: 0.489
local terms energy: -447.042144
where:
bonds (distance) C4'-P energy: -105.147
bonds (distance) P-C4' energy: -96.198
flat angles C4'-P-C4' energy: -106.938
flat angles P-C4'-P energy: -67.388
tors. eta vs tors. theta energy: -71.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1263.510530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.510530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.510530 (E_RNA)
where:
Base-Base interactions energy: -842.344
where: short stacking energy: -387.410
Base-Backbone interact. energy: 2.192
local terms energy: -423.358870
where:
bonds (distance) C4'-P energy: -74.923
bonds (distance) P-C4' energy: -90.128
flat angles C4'-P-C4' energy: -106.397
flat angles P-C4'-P energy: -63.319
tors. eta vs tors. theta energy: -88.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -1092.311279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.311279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.311279 (E_RNA)
where:
Base-Base interactions energy: -696.857
where: short stacking energy: -329.362
Base-Backbone interact. energy: -2.698
local terms energy: -392.755814
where:
bonds (distance) C4'-P energy: -84.431
bonds (distance) P-C4' energy: -90.422
flat angles C4'-P-C4' energy: -98.325
flat angles P-C4'-P energy: -36.175
tors. eta vs tors. theta energy: -83.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -936.229769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.229769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.229769 (E_RNA)
where:
Base-Base interactions energy: -578.408
where: short stacking energy: -267.224
Base-Backbone interact. energy: -0.532
local terms energy: -357.289669
where:
bonds (distance) C4'-P energy: -92.096
bonds (distance) P-C4' energy: -108.253
flat angles C4'-P-C4' energy: -91.784
flat angles P-C4'-P energy: -33.127
tors. eta vs tors. theta energy: -32.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -497.996679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.996679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.996679 (E_RNA)
where:
Base-Base interactions energy: -233.359
where: short stacking energy: -140.445
Base-Backbone interact. energy: -0.491
local terms energy: -264.146844
where:
bonds (distance) C4'-P energy: -80.603
bonds (distance) P-C4' energy: -95.975
flat angles C4'-P-C4' energy: -80.994
flat angles P-C4'-P energy: -27.914
tors. eta vs tors. theta energy: 21.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1809.240209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.240209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.240209 (E_RNA)
where:
Base-Base interactions energy: -1232.330
where: short stacking energy: -520.301
Base-Backbone interact. energy: -5.645
local terms energy: -571.265224
where:
bonds (distance) C4'-P energy: -115.849
bonds (distance) P-C4' energy: -103.901
flat angles C4'-P-C4' energy: -122.862
flat angles P-C4'-P energy: -71.972
tors. eta vs tors. theta energy: -156.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1682.563197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.563197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.563197 (E_RNA)
where:
Base-Base interactions energy: -1137.490
where: short stacking energy: -489.911
Base-Backbone interact. energy: -4.481
local terms energy: -540.592054
where:
bonds (distance) C4'-P energy: -102.703
bonds (distance) P-C4' energy: -105.099
flat angles C4'-P-C4' energy: -121.044
flat angles P-C4'-P energy: -77.834
tors. eta vs tors. theta energy: -133.913
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: 3, replica: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1589.413101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.413101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.413101 (E_RNA)
where:
Base-Base interactions energy: -1043.902
where: short stacking energy: -483.540
Base-Backbone interact. energy: -3.019
local terms energy: -542.491894
where:
bonds (distance) C4'-P energy: -93.567
bonds (distance) P-C4' energy: -110.678
flat angles C4'-P-C4' energy: -119.399
flat angles P-C4'-P energy: -84.189
tors. eta vs tors. theta energy: -134.659
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: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1488.823312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.823312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.823312 (E_RNA)
where:
Base-Base interactions energy: -993.980
where: short stacking energy: -460.218
Base-Backbone interact. energy: 0.712
local terms energy: -495.555555
where:
bonds (distance) C4'-P energy: -92.295
bonds (distance) P-C4' energy: -101.728
flat angles C4'-P-C4' energy: -118.608
flat angles P-C4'-P energy: -71.848
tors. eta vs tors. theta energy: -111.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1360.033087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.033087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.033087 (E_RNA)
where:
Base-Base interactions energy: -895.842
where: short stacking energy: -403.935
Base-Backbone interact. energy: 0.277
local terms energy: -464.468265
where:
bonds (distance) C4'-P energy: -98.215
bonds (distance) P-C4' energy: -96.553
flat angles C4'-P-C4' energy: -105.101
flat angles P-C4'-P energy: -68.382
tors. eta vs tors. theta energy: -96.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1255.115439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.115439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.115439 (E_RNA)
where:
Base-Base interactions energy: -828.358
where: short stacking energy: -371.055
Base-Backbone interact. energy: -1.643
local terms energy: -425.114683
where:
bonds (distance) C4'-P energy: -83.050
bonds (distance) P-C4' energy: -97.733
flat angles C4'-P-C4' energy: -91.879
flat angles P-C4'-P energy: -65.505
tors. eta vs tors. theta energy: -86.947
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: 7, replica: 9
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1236.445038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.445038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.445038 (E_RNA)
where:
Base-Base interactions energy: -820.644
where: short stacking energy: -368.557
Base-Backbone interact. energy: -0.202
local terms energy: -415.599140
where:
bonds (distance) C4'-P energy: -80.519
bonds (distance) P-C4' energy: -117.464
flat angles C4'-P-C4' energy: -93.519
flat angles P-C4'-P energy: -46.948
tors. eta vs tors. theta energy: -77.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -1047.189997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.189997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.189997 (E_RNA)
where:
Base-Base interactions energy: -628.353
where: short stacking energy: -275.097
Base-Backbone interact. energy: 3.946
local terms energy: -422.783037
where:
bonds (distance) C4'-P energy: -90.289
bonds (distance) P-C4' energy: -104.953
flat angles C4'-P-C4' energy: -107.141
flat angles P-C4'-P energy: -57.048
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: 9, replica: 3
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -937.280697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.280697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.280697 (E_RNA)
where:
Base-Base interactions energy: -585.489
where: short stacking energy: -265.160
Base-Backbone interact. energy: -2.475
local terms energy: -349.316587
where:
bonds (distance) C4'-P energy: -77.710
bonds (distance) P-C4' energy: -103.649
flat angles C4'-P-C4' energy: -65.722
flat angles P-C4'-P energy: -48.869
tors. eta vs tors. theta energy: -53.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -489.468491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.468491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.468491 (E_RNA)
where:
Base-Base interactions energy: -200.142
where: short stacking energy: -143.721
Base-Backbone interact. energy: 1.927
local terms energy: -291.253698
where:
bonds (distance) C4'-P energy: -95.448
bonds (distance) P-C4' energy: -95.894
flat angles C4'-P-C4' energy: -81.102
flat angles P-C4'-P energy: -39.330
tors. eta vs tors. theta energy: 20.520
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: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1838.600452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.600452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.600452 (E_RNA)
where:
Base-Base interactions energy: -1276.341
where: short stacking energy: -553.272
Base-Backbone interact. energy: -5.060
local terms energy: -557.199072
where:
bonds (distance) C4'-P energy: -97.461
bonds (distance) P-C4' energy: -112.959
flat angles C4'-P-C4' energy: -116.172
flat angles P-C4'-P energy: -77.270
tors. eta vs tors. theta energy: -153.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1708.040548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.040548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.040548 (E_RNA)
where:
Base-Base interactions energy: -1141.744
where: short stacking energy: -492.618
Base-Backbone interact. energy: 1.114
local terms energy: -567.410635
where:
bonds (distance) C4'-P energy: -104.965
bonds (distance) P-C4' energy: -114.752
flat angles C4'-P-C4' energy: -123.038
flat angles P-C4'-P energy: -82.495
tors. eta vs tors. theta energy: -142.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1555.386907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.386907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.386907 (E_RNA)
where:
Base-Base interactions energy: -1046.944
where: short stacking energy: -467.495
Base-Backbone interact. energy: 0.951
local terms energy: -509.394346
where:
bonds (distance) C4'-P energy: -112.869
bonds (distance) P-C4' energy: -85.410
flat angles C4'-P-C4' energy: -120.306
flat angles P-C4'-P energy: -67.587
tors. eta vs tors. theta energy: -123.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1492.198163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.198163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.198163 (E_RNA)
where:
Base-Base interactions energy: -991.975
where: short stacking energy: -438.014
Base-Backbone interact. energy: -3.456
local terms energy: -496.767030
where:
bonds (distance) C4'-P energy: -94.495
bonds (distance) P-C4' energy: -105.264
flat angles C4'-P-C4' energy: -111.032
flat angles P-C4'-P energy: -74.707
tors. eta vs tors. theta energy: -111.270
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: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1375.992742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.992742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.992742 (E_RNA)
where:
Base-Base interactions energy: -922.695
where: short stacking energy: -413.256
Base-Backbone interact. energy: -2.016
local terms energy: -451.281731
where:
bonds (distance) C4'-P energy: -80.901
bonds (distance) P-C4' energy: -97.894
flat angles C4'-P-C4' energy: -107.571
flat angles P-C4'-P energy: -70.347
tors. eta vs tors. theta energy: -94.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1261.152864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.152864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.152864 (E_RNA)
where:
Base-Base interactions energy: -811.300
where: short stacking energy: -365.364
Base-Backbone interact. energy: -1.500
local terms energy: -448.353405
where:
bonds (distance) C4'-P energy: -94.945
bonds (distance) P-C4' energy: -101.298
flat angles C4'-P-C4' energy: -107.724
flat angles P-C4'-P energy: -70.030
tors. eta vs tors. theta energy: -74.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1249.611114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.611114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.611114 (E_RNA)
where:
Base-Base interactions energy: -835.685
where: short stacking energy: -369.813
Base-Backbone interact. energy: 4.829
local terms energy: -418.754833
where:
bonds (distance) C4'-P energy: -101.439
bonds (distance) P-C4' energy: -87.556
flat angles C4'-P-C4' energy: -89.206
flat angles P-C4'-P energy: -60.217
tors. eta vs tors. theta energy: -80.337
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: 8, replica: 2
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -1067.784910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.784910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.784910 (E_RNA)
where:
Base-Base interactions energy: -657.967
where: short stacking energy: -299.472
Base-Backbone interact. energy: -1.730
local terms energy: -408.087158
where:
bonds (distance) C4'-P energy: -93.478
bonds (distance) P-C4' energy: -104.371
flat angles C4'-P-C4' energy: -100.622
flat angles P-C4'-P energy: -39.962
tors. eta vs tors. theta energy: -69.654
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: 3
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -989.278449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.278449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.278449 (E_RNA)
where:
Base-Base interactions energy: -608.756
where: short stacking energy: -278.666
Base-Backbone interact. energy: 1.182
local terms energy: -381.704830
where:
bonds (distance) C4'-P energy: -83.485
bonds (distance) P-C4' energy: -96.095
flat angles C4'-P-C4' energy: -88.031
flat angles P-C4'-P energy: -61.074
tors. eta vs tors. theta energy: -53.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -521.352908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.352908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.352908 (E_RNA)
where:
Base-Base interactions energy: -235.430
where: short stacking energy: -135.259
Base-Backbone interact. energy: 6.682
local terms energy: -292.604829
where:
bonds (distance) C4'-P energy: -101.454
bonds (distance) P-C4' energy: -96.968
flat angles C4'-P-C4' energy: -83.897
flat angles P-C4'-P energy: -25.377
tors. eta vs tors. theta energy: 15.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1812.813330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.813330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.813330 (E_RNA)
where:
Base-Base interactions energy: -1241.253
where: short stacking energy: -510.488
Base-Backbone interact. energy: -3.586
local terms energy: -567.975013
where:
bonds (distance) C4'-P energy: -110.006
bonds (distance) P-C4' energy: -113.613
flat angles C4'-P-C4' energy: -128.710
flat angles P-C4'-P energy: -75.257
tors. eta vs tors. theta energy: -140.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1709.793261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.793261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.793261 (E_RNA)
where:
Base-Base interactions energy: -1166.768
where: short stacking energy: -470.216
Base-Backbone interact. energy: -2.303
local terms energy: -540.722508
where:
bonds (distance) C4'-P energy: -101.106
bonds (distance) P-C4' energy: -105.431
flat angles C4'-P-C4' energy: -125.430
flat angles P-C4'-P energy: -72.604
tors. eta vs tors. theta energy: -136.152
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: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1592.186698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.186698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.186698 (E_RNA)
where:
Base-Base interactions energy: -1067.343
where: short stacking energy: -474.991
Base-Backbone interact. energy: -2.290
local terms energy: -522.553700
where:
bonds (distance) C4'-P energy: -97.394
bonds (distance) P-C4' energy: -102.732
flat angles C4'-P-C4' energy: -117.866
flat angles P-C4'-P energy: -75.631
tors. eta vs tors. theta energy: -128.930
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: 4, replica: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1466.426473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.426473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.426473 (E_RNA)
where:
Base-Base interactions energy: -964.434
where: short stacking energy: -427.929
Base-Backbone interact. energy: -0.293
local terms energy: -501.700171
where:
bonds (distance) C4'-P energy: -98.064
bonds (distance) P-C4' energy: -107.821
flat angles C4'-P-C4' energy: -102.214
flat angles P-C4'-P energy: -72.976
tors. eta vs tors. theta energy: -120.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1389.180278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.180278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.180278 (E_RNA)
where:
Base-Base interactions energy: -911.008
where: short stacking energy: -412.018
Base-Backbone interact. energy: -1.125
local terms energy: -477.046671
where:
bonds (distance) C4'-P energy: -90.354
bonds (distance) P-C4' energy: -97.531
flat angles C4'-P-C4' energy: -106.115
flat angles P-C4'-P energy: -79.058
tors. eta vs tors. theta energy: -103.989
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: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1262.116649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.116649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.116649 (E_RNA)
where:
Base-Base interactions energy: -827.959
where: short stacking energy: -369.644
Base-Backbone interact. energy: -0.106
local terms energy: -434.052201
where:
bonds (distance) C4'-P energy: -86.550
bonds (distance) P-C4' energy: -100.695
flat angles C4'-P-C4' energy: -107.794
flat angles P-C4'-P energy: -45.950
tors. eta vs tors. theta energy: -93.063
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: 57
Temperature: 1.200000
Total energy: -1209.488789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.488789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.488789 (E_RNA)
where:
Base-Base interactions energy: -786.080
where: short stacking energy: -336.951
Base-Backbone interact. energy: -0.758
local terms energy: -422.650934
where:
bonds (distance) C4'-P energy: -95.009
bonds (distance) P-C4' energy: -110.648
flat angles C4'-P-C4' energy: -82.473
flat angles P-C4'-P energy: -66.674
tors. eta vs tors. theta energy: -67.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -980.616913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.616913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.616913 (E_RNA)
where:
Base-Base interactions energy: -615.473
where: short stacking energy: -291.673
Base-Backbone interact. energy: 1.956
local terms energy: -367.100391
where:
bonds (distance) C4'-P energy: -89.777
bonds (distance) P-C4' energy: -89.558
flat angles C4'-P-C4' energy: -87.348
flat angles P-C4'-P energy: -46.461
tors. eta vs tors. theta energy: -53.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -1060.037166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.037166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.037166 (E_RNA)
where:
Base-Base interactions energy: -694.605
where: short stacking energy: -305.779
Base-Backbone interact. energy: -0.093
local terms energy: -365.338793
where:
bonds (distance) C4'-P energy: -75.781
bonds (distance) P-C4' energy: -84.306
flat angles C4'-P-C4' energy: -88.999
flat angles P-C4'-P energy: -49.266
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: 10, replica: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -500.854257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.854257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.854257 (E_RNA)
where:
Base-Base interactions energy: -202.045
where: short stacking energy: -132.145
Base-Backbone interact. energy: -1.691
local terms energy: -297.118199
where:
bonds (distance) C4'-P energy: -84.002
bonds (distance) P-C4' energy: -95.143
flat angles C4'-P-C4' energy: -63.723
flat angles P-C4'-P energy: -61.494
tors. eta vs tors. theta energy: 7.244
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: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1821.226820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.226820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.226820 (E_RNA)
where:
Base-Base interactions energy: -1254.591
where: short stacking energy: -552.380
Base-Backbone interact. energy: -2.099
local terms energy: -564.536397
where:
bonds (distance) C4'-P energy: -104.020
bonds (distance) P-C4' energy: -98.408
flat angles C4'-P-C4' energy: -125.259
flat angles P-C4'-P energy: -73.274
tors. eta vs tors. theta energy: -163.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1718.956019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.956019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.956019 (E_RNA)
where:
Base-Base interactions energy: -1182.050
where: short stacking energy: -507.933
Base-Backbone interact. energy: -2.931
local terms energy: -533.974294
where:
bonds (distance) C4'-P energy: -113.302
bonds (distance) P-C4' energy: -92.115
flat angles C4'-P-C4' energy: -113.269
flat angles P-C4'-P energy: -69.062
tors. eta vs tors. theta energy: -146.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1578.777421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.777421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.777421 (E_RNA)
where:
Base-Base interactions energy: -1043.728
where: short stacking energy: -457.622
Base-Backbone interact. energy: -0.630
local terms energy: -534.419104
where:
bonds (distance) C4'-P energy: -107.938
bonds (distance) P-C4' energy: -102.204
flat angles C4'-P-C4' energy: -105.249
flat angles P-C4'-P energy: -79.278
tors. eta vs tors. theta energy: -139.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1481.424035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.424035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.424035 (E_RNA)
where:
Base-Base interactions energy: -990.502
where: short stacking energy: -461.377
Base-Backbone interact. energy: -2.758
local terms energy: -488.164390
where:
bonds (distance) C4'-P energy: -100.920
bonds (distance) P-C4' energy: -92.788
flat angles C4'-P-C4' energy: -107.676
flat angles P-C4'-P energy: -69.510
tors. eta vs tors. theta energy: -117.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1372.100042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.100042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.100042 (E_RNA)
where:
Base-Base interactions energy: -924.408
where: short stacking energy: -423.493
Base-Backbone interact. energy: -2.021
local terms energy: -445.671215
where:
bonds (distance) C4'-P energy: -94.697
bonds (distance) P-C4' energy: -87.224
flat angles C4'-P-C4' energy: -98.272
flat angles P-C4'-P energy: -67.776
tors. eta vs tors. theta energy: -97.703
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: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1312.300401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.300401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.300401 (E_RNA)
where:
Base-Base interactions energy: -869.274
where: short stacking energy: -392.028
Base-Backbone interact. energy: 2.198
local terms energy: -445.225105
where:
bonds (distance) C4'-P energy: -100.783
bonds (distance) P-C4' energy: -89.363
flat angles C4'-P-C4' energy: -89.110
flat angles P-C4'-P energy: -71.628
tors. eta vs tors. theta energy: -94.341
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: 9
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1197.270968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.270968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.270968 (E_RNA)
where:
Base-Base interactions energy: -793.479
where: short stacking energy: -338.200
Base-Backbone interact. energy: -3.258
local terms energy: -400.533380
where:
bonds (distance) C4'-P energy: -79.379
bonds (distance) P-C4' energy: -91.520
flat angles C4'-P-C4' energy: -100.629
flat angles P-C4'-P energy: -49.529
tors. eta vs tors. theta energy: -79.478
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: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -1005.903943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.903943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.903943 (E_RNA)
where:
Base-Base interactions energy: -626.905
where: short stacking energy: -274.246
Base-Backbone interact. energy: 1.561
local terms energy: -380.560532
where:
bonds (distance) C4'-P energy: -92.114
bonds (distance) P-C4' energy: -78.586
flat angles C4'-P-C4' energy: -99.866
flat angles P-C4'-P energy: -60.847
tors. eta vs tors. theta energy: -49.147
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: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -1072.976836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.976836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.976836 (E_RNA)
where:
Base-Base interactions energy: -691.720
where: short stacking energy: -300.066
Base-Backbone interact. energy: -4.011
local terms energy: -377.245234
where:
bonds (distance) C4'-P energy: -79.012
bonds (distance) P-C4' energy: -81.093
flat angles C4'-P-C4' energy: -92.442
flat angles P-C4'-P energy: -54.192
tors. eta vs tors. theta energy: -70.507
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: 58
Temperature: 1.350000
Total energy: -497.863850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.863850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.863850 (E_RNA)
where:
Base-Base interactions energy: -202.692
where: short stacking energy: -143.408
Base-Backbone interact. energy: -3.847
local terms energy: -291.324928
where:
bonds (distance) C4'-P energy: -75.501
bonds (distance) P-C4' energy: -95.244
flat angles C4'-P-C4' energy: -80.263
flat angles P-C4'-P energy: -49.826
tors. eta vs tors. theta energy: 9.509
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: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1800.180574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.180574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.180574 (E_RNA)
where:
Base-Base interactions energy: -1238.124
where: short stacking energy: -532.706
Base-Backbone interact. energy: -1.401
local terms energy: -560.655706
where:
bonds (distance) C4'-P energy: -100.961
bonds (distance) P-C4' energy: -116.230
flat angles C4'-P-C4' energy: -116.021
flat angles P-C4'-P energy: -74.984
tors. eta vs tors. theta energy: -152.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1694.487858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.487858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.487858 (E_RNA)
where:
Base-Base interactions energy: -1140.078
where: short stacking energy: -495.659
Base-Backbone interact. energy: -1.451
local terms energy: -552.958666
where:
bonds (distance) C4'-P energy: -111.405
bonds (distance) P-C4' energy: -115.649
flat angles C4'-P-C4' energy: -117.648
flat angles P-C4'-P energy: -72.667
tors. eta vs tors. theta energy: -135.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1567.082176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.082176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.082176 (E_RNA)
where:
Base-Base interactions energy: -1040.560
where: short stacking energy: -453.271
Base-Backbone interact. energy: -2.499
local terms energy: -524.023434
where:
bonds (distance) C4'-P energy: -95.694
bonds (distance) P-C4' energy: -103.965
flat angles C4'-P-C4' energy: -127.851
flat angles P-C4'-P energy: -78.225
tors. eta vs tors. theta energy: -118.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1479.720014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.720014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.720014 (E_RNA)
where:
Base-Base interactions energy: -984.369
where: short stacking energy: -427.505
Base-Backbone interact. energy: -0.877
local terms energy: -494.474346
where:
bonds (distance) C4'-P energy: -91.314
bonds (distance) P-C4' energy: -94.889
flat angles C4'-P-C4' energy: -115.827
flat angles P-C4'-P energy: -72.879
tors. eta vs tors. theta energy: -119.565
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: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1402.918226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.918226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.918226 (E_RNA)
where:
Base-Base interactions energy: -915.903
where: short stacking energy: -423.094
Base-Backbone interact. energy: -1.461
local terms energy: -485.554129
where:
bonds (distance) C4'-P energy: -109.063
bonds (distance) P-C4' energy: -99.277
flat angles C4'-P-C4' energy: -110.521
flat angles P-C4'-P energy: -66.027
tors. eta vs tors. theta energy: -100.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1293.782038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.782038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.782038 (E_RNA)
where:
Base-Base interactions energy: -857.089
where: short stacking energy: -373.706
Base-Backbone interact. energy: -0.582
local terms energy: -436.110613
where:
bonds (distance) C4'-P energy: -92.560
bonds (distance) P-C4' energy: -81.614
flat angles C4'-P-C4' energy: -94.209
flat angles P-C4'-P energy: -66.900
tors. eta vs tors. theta energy: -100.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1205.468524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.468524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.468524 (E_RNA)
where:
Base-Base interactions energy: -785.512
where: short stacking energy: -338.442
Base-Backbone interact. energy: 1.662
local terms energy: -421.618551
where:
bonds (distance) C4'-P energy: -93.067
bonds (distance) P-C4' energy: -92.596
flat angles C4'-P-C4' energy: -103.598
flat angles P-C4'-P energy: -52.204
tors. eta vs tors. theta energy: -80.154
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: 8, replica: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1099.118710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.118710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.118710 (E_RNA)
where:
Base-Base interactions energy: -700.175
where: short stacking energy: -319.810
Base-Backbone interact. energy: 0.315
local terms energy: -399.258887
where:
bonds (distance) C4'-P energy: -82.336
bonds (distance) P-C4' energy: -105.375
flat angles C4'-P-C4' energy: -86.439
flat angles P-C4'-P energy: -63.876
tors. eta vs tors. theta energy: -61.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -954.463821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.463821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.463821 (E_RNA)
where:
Base-Base interactions energy: -574.749
where: short stacking energy: -273.615
Base-Backbone interact. energy: -2.657
local terms energy: -377.057628
where:
bonds (distance) C4'-P energy: -95.402
bonds (distance) P-C4' energy: -90.189
flat angles C4'-P-C4' energy: -98.139
flat angles P-C4'-P energy: -53.839
tors. eta vs tors. theta energy: -39.489
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: 59
Temperature: 1.350000
Total energy: -548.874135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.874135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.874135 (E_RNA)
where:
Base-Base interactions energy: -269.811
where: short stacking energy: -153.378
Base-Backbone interact. energy: -2.496
local terms energy: -276.566215
where:
bonds (distance) C4'-P energy: -74.513
bonds (distance) P-C4' energy: -82.309
flat angles C4'-P-C4' energy: -79.246
flat angles P-C4'-P energy: -51.135
tors. eta vs tors. theta energy: 10.636
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: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1790.703616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.703616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.703616 (E_RNA)
where:
Base-Base interactions energy: -1222.609
where: short stacking energy: -545.036
Base-Backbone interact. energy: 0.328
local terms energy: -568.421927
where:
bonds (distance) C4'-P energy: -107.872
bonds (distance) P-C4' energy: -102.327
flat angles C4'-P-C4' energy: -131.629
flat angles P-C4'-P energy: -80.167
tors. eta vs tors. theta energy: -146.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1700.982636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.982636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.982636 (E_RNA)
where:
Base-Base interactions energy: -1154.320
where: short stacking energy: -489.588
Base-Backbone interact. energy: -2.269
local terms energy: -544.392953
where:
bonds (distance) C4'-P energy: -97.005
bonds (distance) P-C4' energy: -105.858
flat angles C4'-P-C4' energy: -122.680
flat angles P-C4'-P energy: -73.025
tors. eta vs tors. theta energy: -145.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1616.362633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.362633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.362633 (E_RNA)
where:
Base-Base interactions energy: -1095.617
where: short stacking energy: -477.476
Base-Backbone interact. energy: -1.041
local terms energy: -519.704714
where:
bonds (distance) C4'-P energy: -103.823
bonds (distance) P-C4' energy: -103.912
flat angles C4'-P-C4' energy: -121.874
flat angles P-C4'-P energy: -65.268
tors. eta vs tors. theta energy: -124.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1504.609829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.609829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.609829 (E_RNA)
where:
Base-Base interactions energy: -1030.937
where: short stacking energy: -460.428
Base-Backbone interact. energy: -1.006
local terms energy: -472.666294
where:
bonds (distance) C4'-P energy: -95.478
bonds (distance) P-C4' energy: -103.799
flat angles C4'-P-C4' energy: -90.337
flat angles P-C4'-P energy: -68.171
tors. eta vs tors. theta energy: -114.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1466.113815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.113815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.113815 (E_RNA)
where:
Base-Base interactions energy: -969.851
where: short stacking energy: -435.929
Base-Backbone interact. energy: 0.240
local terms energy: -496.503331
where:
bonds (distance) C4'-P energy: -99.391
bonds (distance) P-C4' energy: -104.495
flat angles C4'-P-C4' energy: -110.633
flat angles P-C4'-P energy: -68.568
tors. eta vs tors. theta energy: -113.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1308.586472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.586472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.586472 (E_RNA)
where:
Base-Base interactions energy: -878.393
where: short stacking energy: -397.655
Base-Backbone interact. energy: 5.003
local terms energy: -435.196073
where:
bonds (distance) C4'-P energy: -89.831
bonds (distance) P-C4' energy: -105.174
flat angles C4'-P-C4' energy: -87.012
flat angles P-C4'-P energy: -58.177
tors. eta vs tors. theta energy: -95.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1223.612916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.612916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.612916 (E_RNA)
where:
Base-Base interactions energy: -821.796
where: short stacking energy: -352.098
Base-Backbone interact. energy: -2.697
local terms energy: -399.120035
where:
bonds (distance) C4'-P energy: -76.207
bonds (distance) P-C4' energy: -93.537
flat angles C4'-P-C4' energy: -102.542
flat angles P-C4'-P energy: -45.291
tors. eta vs tors. theta energy: -81.544
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: 2
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1060.917536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.917536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.917536 (E_RNA)
where:
Base-Base interactions energy: -679.329
where: short stacking energy: -294.620
Base-Backbone interact. energy: 3.357
local terms energy: -384.945715
where:
bonds (distance) C4'-P energy: -87.310
bonds (distance) P-C4' energy: -85.056
flat angles C4'-P-C4' energy: -97.068
flat angles P-C4'-P energy: -60.220
tors. eta vs tors. theta energy: -55.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -974.032864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.032864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.032864 (E_RNA)
where:
Base-Base interactions energy: -585.558
where: short stacking energy: -277.052
Base-Backbone interact. energy: -2.017
local terms energy: -386.456979
where:
bonds (distance) C4'-P energy: -87.040
bonds (distance) P-C4' energy: -76.768
flat angles C4'-P-C4' energy: -92.124
flat angles P-C4'-P energy: -71.034
tors. eta vs tors. theta energy: -59.490
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: 10, replica: 10
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -523.231657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.231657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.231657 (E_RNA)
where:
Base-Base interactions energy: -229.927
where: short stacking energy: -150.544
Base-Backbone interact. energy: -0.686
local terms energy: -292.618542
where:
bonds (distance) C4'-P energy: -92.703
bonds (distance) P-C4' energy: -92.653
flat angles C4'-P-C4' energy: -77.819
flat angles P-C4'-P energy: -33.987
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: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1801.472187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.472187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.472187 (E_RNA)
where:
Base-Base interactions energy: -1221.952
where: short stacking energy: -522.541
Base-Backbone interact. energy: -4.702
local terms energy: -574.818166
where:
bonds (distance) C4'-P energy: -111.515
bonds (distance) P-C4' energy: -120.999
flat angles C4'-P-C4' energy: -118.838
flat angles P-C4'-P energy: -79.520
tors. eta vs tors. theta energy: -143.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1718.918171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.918171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.918171 (E_RNA)
where:
Base-Base interactions energy: -1182.499
where: short stacking energy: -512.890
Base-Backbone interact. energy: -1.983
local terms energy: -534.436583
where:
bonds (distance) C4'-P energy: -105.427
bonds (distance) P-C4' energy: -96.565
flat angles C4'-P-C4' energy: -119.010
flat angles P-C4'-P energy: -73.074
tors. eta vs tors. theta energy: -140.360
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: 3, replica: 7
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1592.158634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.158634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.158634 (E_RNA)
where:
Base-Base interactions energy: -1075.739
where: short stacking energy: -469.888
Base-Backbone interact. energy: -3.263
local terms energy: -513.156217
where:
bonds (distance) C4'-P energy: -110.448
bonds (distance) P-C4' energy: -96.399
flat angles C4'-P-C4' energy: -104.136
flat angles P-C4'-P energy: -68.609
tors. eta vs tors. theta energy: -133.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1487.388415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.388415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.388415 (E_RNA)
where:
Base-Base interactions energy: -975.465
where: short stacking energy: -441.435
Base-Backbone interact. energy: -0.137
local terms energy: -511.786025
where:
bonds (distance) C4'-P energy: -97.731
bonds (distance) P-C4' energy: -104.301
flat angles C4'-P-C4' energy: -112.344
flat angles P-C4'-P energy: -76.150
tors. eta vs tors. theta energy: -121.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1448.516315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.516315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.516315 (E_RNA)
where:
Base-Base interactions energy: -975.670
where: short stacking energy: -423.455
Base-Backbone interact. energy: -1.858
local terms energy: -470.988927
where:
bonds (distance) C4'-P energy: -91.773
bonds (distance) P-C4' energy: -102.750
flat angles C4'-P-C4' energy: -107.043
flat angles P-C4'-P energy: -63.086
tors. eta vs tors. theta energy: -106.337
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: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1319.444342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.444342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.444342 (E_RNA)
where:
Base-Base interactions energy: -892.303
where: short stacking energy: -392.415
Base-Backbone interact. energy: -2.596
local terms energy: -424.545290
where:
bonds (distance) C4'-P energy: -88.878
bonds (distance) P-C4' energy: -82.616
flat angles C4'-P-C4' energy: -95.438
flat angles P-C4'-P energy: -63.673
tors. eta vs tors. theta energy: -93.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1294.084853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.084853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.084853 (E_RNA)
where:
Base-Base interactions energy: -869.322
where: short stacking energy: -374.144
Base-Backbone interact. energy: -1.329
local terms energy: -423.433406
where:
bonds (distance) C4'-P energy: -91.682
bonds (distance) P-C4' energy: -90.723
flat angles C4'-P-C4' energy: -102.604
flat angles P-C4'-P energy: -54.536
tors. eta vs tors. theta energy: -83.888
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: 2
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1074.775219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.775219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.775219 (E_RNA)
where:
Base-Base interactions energy: -686.624
where: short stacking energy: -335.609
Base-Backbone interact. energy: 1.321
local terms energy: -389.472082
where:
bonds (distance) C4'-P energy: -85.387
bonds (distance) P-C4' energy: -93.676
flat angles C4'-P-C4' energy: -98.049
flat angles P-C4'-P energy: -55.199
tors. eta vs tors. theta energy: -57.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -990.143244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.143244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.143244 (E_RNA)
where:
Base-Base interactions energy: -603.423
where: short stacking energy: -286.125
Base-Backbone interact. energy: 0.059
local terms energy: -386.778311
where:
bonds (distance) C4'-P energy: -82.534
bonds (distance) P-C4' energy: -87.175
flat angles C4'-P-C4' energy: -104.040
flat angles P-C4'-P energy: -58.660
tors. eta vs tors. theta energy: -54.369
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: 61
Temperature: 1.350000
Total energy: -494.883942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.883942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.883942 (E_RNA)
where:
Base-Base interactions energy: -229.993
where: short stacking energy: -148.849
Base-Backbone interact. energy: -2.481
local terms energy: -262.410440
where:
bonds (distance) C4'-P energy: -96.444
bonds (distance) P-C4' energy: -81.593
flat angles C4'-P-C4' energy: -69.371
flat angles P-C4'-P energy: -23.592
tors. eta vs tors. theta energy: 8.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1784.148711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.148711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.148711 (E_RNA)
where:
Base-Base interactions energy: -1221.040
where: short stacking energy: -520.007
Base-Backbone interact. energy: -1.548
local terms energy: -561.561216
where:
bonds (distance) C4'-P energy: -113.072
bonds (distance) P-C4' energy: -106.512
flat angles C4'-P-C4' energy: -116.585
flat angles P-C4'-P energy: -82.803
tors. eta vs tors. theta energy: -142.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1670.205733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.205733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.205733 (E_RNA)
where:
Base-Base interactions energy: -1122.310
where: short stacking energy: -500.484
Base-Backbone interact. energy: -5.742
local terms energy: -542.154057
where:
bonds (distance) C4'-P energy: -90.626
bonds (distance) P-C4' energy: -109.862
flat angles C4'-P-C4' energy: -118.494
flat angles P-C4'-P energy: -85.368
tors. eta vs tors. theta energy: -137.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1618.127765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.127765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.127765 (E_RNA)
where:
Base-Base interactions energy: -1086.781
where: short stacking energy: -466.707
Base-Backbone interact. energy: -1.851
local terms energy: -529.495309
where:
bonds (distance) C4'-P energy: -100.769
bonds (distance) P-C4' energy: -104.966
flat angles C4'-P-C4' energy: -112.609
flat angles P-C4'-P energy: -78.269
tors. eta vs tors. theta energy: -132.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1540.287295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.287295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.287295 (E_RNA)
where:
Base-Base interactions energy: -1016.573
where: short stacking energy: -438.182
Base-Backbone interact. energy: -1.305
local terms energy: -522.409276
where:
bonds (distance) C4'-P energy: -101.438
bonds (distance) P-C4' energy: -109.449
flat angles C4'-P-C4' energy: -122.504
flat angles P-C4'-P energy: -69.452
tors. eta vs tors. theta energy: -119.566
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: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1427.196961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.196961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.196961 (E_RNA)
where:
Base-Base interactions energy: -952.509
where: short stacking energy: -405.064
Base-Backbone interact. energy: -2.291
local terms energy: -472.397412
where:
bonds (distance) C4'-P energy: -98.079
bonds (distance) P-C4' energy: -99.685
flat angles C4'-P-C4' energy: -101.375
flat angles P-C4'-P energy: -67.628
tors. eta vs tors. theta energy: -105.630
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: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1285.893943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.893943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.893943 (E_RNA)
where:
Base-Base interactions energy: -849.847
where: short stacking energy: -366.665
Base-Backbone interact. energy: -0.963
local terms energy: -435.083410
where:
bonds (distance) C4'-P energy: -89.823
bonds (distance) P-C4' energy: -92.140
flat angles C4'-P-C4' energy: -103.414
flat angles P-C4'-P energy: -67.893
tors. eta vs tors. theta energy: -81.813
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: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1234.031070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.031070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.031070 (E_RNA)
where:
Base-Base interactions energy: -817.835
where: short stacking energy: -348.252
Base-Backbone interact. energy: 0.183
local terms energy: -416.378370
where:
bonds (distance) C4'-P energy: -95.996
bonds (distance) P-C4' energy: -96.320
flat angles C4'-P-C4' energy: -90.703
flat angles P-C4'-P energy: -57.554
tors. eta vs tors. theta energy: -75.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1175.663715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.663715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.663715 (E_RNA)
where:
Base-Base interactions energy: -752.974
where: short stacking energy: -337.715
Base-Backbone interact. energy: 0.040
local terms energy: -422.729582
where:
bonds (distance) C4'-P energy: -94.612
bonds (distance) P-C4' energy: -85.630
flat angles C4'-P-C4' energy: -101.178
flat angles P-C4'-P energy: -70.431
tors. eta vs tors. theta energy: -70.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -908.647167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.647167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.647167 (E_RNA)
where:
Base-Base interactions energy: -527.706
where: short stacking energy: -250.653
Base-Backbone interact. energy: 0.179
local terms energy: -381.120727
where:
bonds (distance) C4'-P energy: -101.809
bonds (distance) P-C4' energy: -75.795
flat angles C4'-P-C4' energy: -89.066
flat angles P-C4'-P energy: -58.064
tors. eta vs tors. theta energy: -56.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -490.874003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.874003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.874003 (E_RNA)
where:
Base-Base interactions energy: -220.856
where: short stacking energy: -133.626
Base-Backbone interact. energy: 1.745
local terms energy: -271.762970
where:
bonds (distance) C4'-P energy: -88.263
bonds (distance) P-C4' energy: -75.720
flat angles C4'-P-C4' energy: -83.974
flat angles P-C4'-P energy: -35.885
tors. eta vs tors. theta energy: 12.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1810.348057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.348057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.348057 (E_RNA)
where:
Base-Base interactions energy: -1229.678
where: short stacking energy: -543.921
Base-Backbone interact. energy: -3.052
local terms energy: -577.617984
where:
bonds (distance) C4'-P energy: -127.966
bonds (distance) P-C4' energy: -111.526
flat angles C4'-P-C4' energy: -118.349
flat angles P-C4'-P energy: -74.232
tors. eta vs tors. theta energy: -145.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1666.440093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.440093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.440093 (E_RNA)
where:
Base-Base interactions energy: -1118.801
where: short stacking energy: -491.178
Base-Backbone interact. energy: -0.990
local terms energy: -546.649542
where:
bonds (distance) C4'-P energy: -99.225
bonds (distance) P-C4' energy: -110.243
flat angles C4'-P-C4' energy: -123.194
flat angles P-C4'-P energy: -75.828
tors. eta vs tors. theta energy: -138.159
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: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1607.406928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.406928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.406928 (E_RNA)
where:
Base-Base interactions energy: -1072.132
where: short stacking energy: -475.651
Base-Backbone interact. energy: 3.492
local terms energy: -538.766981
where:
bonds (distance) C4'-P energy: -108.507
bonds (distance) P-C4' energy: -113.117
flat angles C4'-P-C4' energy: -110.538
flat angles P-C4'-P energy: -64.223
tors. eta vs tors. theta energy: -142.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1513.942901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.942901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.942901 (E_RNA)
where:
Base-Base interactions energy: -1021.170
where: short stacking energy: -447.937
Base-Backbone interact. energy: -0.297
local terms energy: -492.476662
where:
bonds (distance) C4'-P energy: -110.928
bonds (distance) P-C4' energy: -92.447
flat angles C4'-P-C4' energy: -119.764
flat angles P-C4'-P energy: -55.208
tors. eta vs tors. theta energy: -114.130
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: 5, replica: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1402.968500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.968500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.968500 (E_RNA)
where:
Base-Base interactions energy: -912.143
where: short stacking energy: -411.132
Base-Backbone interact. energy: -3.774
local terms energy: -487.051117
where:
bonds (distance) C4'-P energy: -96.361
bonds (distance) P-C4' energy: -103.289
flat angles C4'-P-C4' energy: -105.430
flat angles P-C4'-P energy: -71.609
tors. eta vs tors. theta energy: -110.362
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: 63
Temperature: 1.150000
Total energy: -1306.238068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.238068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.238068 (E_RNA)
where:
Base-Base interactions energy: -870.753
where: short stacking energy: -356.499
Base-Backbone interact. energy: -1.582
local terms energy: -433.903060
where:
bonds (distance) C4'-P energy: -93.583
bonds (distance) P-C4' energy: -96.172
flat angles C4'-P-C4' energy: -89.371
flat angles P-C4'-P energy: -75.943
tors. eta vs tors. theta energy: -78.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1267.372298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.372298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.372298 (E_RNA)
where:
Base-Base interactions energy: -844.510
where: short stacking energy: -379.895
Base-Backbone interact. energy: 1.155
local terms energy: -424.017886
where:
bonds (distance) C4'-P energy: -88.954
bonds (distance) P-C4' energy: -91.285
flat angles C4'-P-C4' energy: -95.220
flat angles P-C4'-P energy: -61.086
tors. eta vs tors. theta energy: -87.473
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: 2
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1132.105477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.105477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.105477 (E_RNA)
where:
Base-Base interactions energy: -709.555
where: short stacking energy: -324.728
Base-Backbone interact. energy: -1.580
local terms energy: -420.970428
where:
bonds (distance) C4'-P energy: -83.094
bonds (distance) P-C4' energy: -97.163
flat angles C4'-P-C4' energy: -97.842
flat angles P-C4'-P energy: -65.357
tors. eta vs tors. theta energy: -77.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -906.759794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.759794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.759794 (E_RNA)
where:
Base-Base interactions energy: -547.095
where: short stacking energy: -271.649
Base-Backbone interact. energy: 3.612
local terms energy: -363.276576
where:
bonds (distance) C4'-P energy: -101.298
bonds (distance) P-C4' energy: -84.522
flat angles C4'-P-C4' energy: -91.864
flat angles P-C4'-P energy: -53.304
tors. eta vs tors. theta energy: -32.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -478.773346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.773346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.773346 (E_RNA)
where:
Base-Base interactions energy: -205.438
where: short stacking energy: -139.767
Base-Backbone interact. energy: 0.771
local terms energy: -274.106609
where:
bonds (distance) C4'-P energy: -88.472
bonds (distance) P-C4' energy: -83.021
flat angles C4'-P-C4' energy: -74.609
flat angles P-C4'-P energy: -37.359
tors. eta vs tors. theta energy: 9.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1784.078268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.078268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.078268 (E_RNA)
where:
Base-Base interactions energy: -1214.837
where: short stacking energy: -543.211
Base-Backbone interact. energy: -5.993
local terms energy: -563.248535
where:
bonds (distance) C4'-P energy: -102.668
bonds (distance) P-C4' energy: -111.567
flat angles C4'-P-C4' energy: -119.728
flat angles P-C4'-P energy: -81.898
tors. eta vs tors. theta energy: -147.388
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: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1708.702328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.702328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.702328 (E_RNA)
where:
Base-Base interactions energy: -1159.163
where: short stacking energy: -508.593
Base-Backbone interact. energy: -0.663
local terms energy: -548.876033
where:
bonds (distance) C4'-P energy: -104.204
bonds (distance) P-C4' energy: -101.895
flat angles C4'-P-C4' energy: -116.785
flat angles P-C4'-P energy: -80.598
tors. eta vs tors. theta energy: -145.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1589.883306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.883306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.883306 (E_RNA)
where:
Base-Base interactions energy: -1064.195
where: short stacking energy: -485.730
Base-Backbone interact. energy: -3.482
local terms energy: -522.206162
where:
bonds (distance) C4'-P energy: -113.915
bonds (distance) P-C4' energy: -96.757
flat angles C4'-P-C4' energy: -119.278
flat angles P-C4'-P energy: -62.672
tors. eta vs tors. theta energy: -129.584
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: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1508.171570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.171570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.171570 (E_RNA)
where:
Base-Base interactions energy: -1009.002
where: short stacking energy: -459.868
Base-Backbone interact. energy: 0.948
local terms energy: -500.117537
where:
bonds (distance) C4'-P energy: -91.669
bonds (distance) P-C4' energy: -101.756
flat angles C4'-P-C4' energy: -110.780
flat angles P-C4'-P energy: -66.239
tors. eta vs tors. theta energy: -129.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1379.819586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.819586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.819586 (E_RNA)
where:
Base-Base interactions energy: -895.373
where: short stacking energy: -409.722
Base-Backbone interact. energy: -3.333
local terms energy: -481.113626
where:
bonds (distance) C4'-P energy: -105.208
bonds (distance) P-C4' energy: -109.798
flat angles C4'-P-C4' energy: -104.485
flat angles P-C4'-P energy: -69.521
tors. eta vs tors. theta energy: -92.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1295.348727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.348727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.348727 (E_RNA)
where:
Base-Base interactions energy: -844.847
where: short stacking energy: -371.800
Base-Backbone interact. energy: -1.314
local terms energy: -449.187215
where:
bonds (distance) C4'-P energy: -106.074
bonds (distance) P-C4' energy: -106.633
flat angles C4'-P-C4' energy: -106.063
flat angles P-C4'-P energy: -61.307
tors. eta vs tors. theta energy: -69.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1255.568410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.568410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.568410 (E_RNA)
where:
Base-Base interactions energy: -822.763
where: short stacking energy: -359.111
Base-Backbone interact. energy: -4.699
local terms energy: -428.106739
where:
bonds (distance) C4'-P energy: -101.672
bonds (distance) P-C4' energy: -96.390
flat angles C4'-P-C4' energy: -87.913
flat angles P-C4'-P energy: -63.191
tors. eta vs tors. theta energy: -78.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1097.944962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.944962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.944962 (E_RNA)
where:
Base-Base interactions energy: -701.353
where: short stacking energy: -281.171
Base-Backbone interact. energy: -0.704
local terms energy: -395.888180
where:
bonds (distance) C4'-P energy: -81.697
bonds (distance) P-C4' energy: -95.050
flat angles C4'-P-C4' energy: -99.843
flat angles P-C4'-P energy: -67.782
tors. eta vs tors. theta energy: -51.516
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: 9, replica: 3
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -928.181773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.181773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.181773 (E_RNA)
where:
Base-Base interactions energy: -561.723
where: short stacking energy: -294.179
Base-Backbone interact. energy: 4.716
local terms energy: -371.175320
where:
bonds (distance) C4'-P energy: -97.535
bonds (distance) P-C4' energy: -98.342
flat angles C4'-P-C4' energy: -96.883
flat angles P-C4'-P energy: -30.928
tors. eta vs tors. theta energy: -47.487
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: 64
Temperature: 1.350000
Total energy: -512.319009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.319009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.319009 (E_RNA)
where:
Base-Base interactions energy: -245.029
where: short stacking energy: -114.958
Base-Backbone interact. energy: 4.222
local terms energy: -271.512217
where:
bonds (distance) C4'-P energy: -81.332
bonds (distance) P-C4' energy: -80.012
flat angles C4'-P-C4' energy: -72.084
flat angles P-C4'-P energy: -39.555
tors. eta vs tors. theta energy: 1.472
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: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1832.307917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.307917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.307917 (E_RNA)
where:
Base-Base interactions energy: -1254.277
where: short stacking energy: -547.412
Base-Backbone interact. energy: -4.062
local terms energy: -573.968981
where:
bonds (distance) C4'-P energy: -114.843
bonds (distance) P-C4' energy: -98.530
flat angles C4'-P-C4' energy: -129.027
flat angles P-C4'-P energy: -75.899
tors. eta vs tors. theta energy: -155.669
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: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1689.700251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.700251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.700251 (E_RNA)
where:
Base-Base interactions energy: -1150.285
where: short stacking energy: -493.005
Base-Backbone interact. energy: -2.637
local terms energy: -536.777466
where:
bonds (distance) C4'-P energy: -103.836
bonds (distance) P-C4' energy: -111.820
flat angles C4'-P-C4' energy: -113.453
flat angles P-C4'-P energy: -72.910
tors. eta vs tors. theta energy: -134.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1543.317692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.317692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.317692 (E_RNA)
where:
Base-Base interactions energy: -1037.329
where: short stacking energy: -455.448
Base-Backbone interact. energy: -1.836
local terms energy: -504.153411
where:
bonds (distance) C4'-P energy: -85.419
bonds (distance) P-C4' energy: -105.418
flat angles C4'-P-C4' energy: -116.554
flat angles P-C4'-P energy: -75.116
tors. eta vs tors. theta energy: -121.645
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: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1529.783068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.783068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.783068 (E_RNA)
where:
Base-Base interactions energy: -1029.510
where: short stacking energy: -431.367
Base-Backbone interact. energy: -4.806
local terms energy: -495.467324
where:
bonds (distance) C4'-P energy: -112.035
bonds (distance) P-C4' energy: -103.724
flat angles C4'-P-C4' energy: -93.129
flat angles P-C4'-P energy: -70.462
tors. eta vs tors. theta energy: -116.117
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: 65
Temperature: 1.100000
Total energy: -1399.706501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.706501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.706501 (E_RNA)
where:
Base-Base interactions energy: -913.485
where: short stacking energy: -418.280
Base-Backbone interact. energy: -1.803
local terms energy: -484.418569
where:
bonds (distance) C4'-P energy: -95.365
bonds (distance) P-C4' energy: -90.726
flat angles C4'-P-C4' energy: -111.528
flat angles P-C4'-P energy: -70.077
tors. eta vs tors. theta energy: -116.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1310.297137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.297137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.297137 (E_RNA)
where:
Base-Base interactions energy: -846.737
where: short stacking energy: -371.338
Base-Backbone interact. energy: 4.337
local terms energy: -467.897072
where:
bonds (distance) C4'-P energy: -109.656
bonds (distance) P-C4' energy: -100.043
flat angles C4'-P-C4' energy: -103.053
flat angles P-C4'-P energy: -67.676
tors. eta vs tors. theta energy: -87.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1246.828367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.828367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.828367 (E_RNA)
where:
Base-Base interactions energy: -812.990
where: short stacking energy: -358.667
Base-Backbone interact. energy: -1.425
local terms energy: -432.413338
where:
bonds (distance) C4'-P energy: -106.098
bonds (distance) P-C4' energy: -84.565
flat angles C4'-P-C4' energy: -85.628
flat angles P-C4'-P energy: -68.056
tors. eta vs tors. theta energy: -88.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1106.714975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.714975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.714975 (E_RNA)
where:
Base-Base interactions energy: -692.671
where: short stacking energy: -310.907
Base-Backbone interact. energy: -0.213
local terms energy: -413.830788
where:
bonds (distance) C4'-P energy: -79.529
bonds (distance) P-C4' energy: -98.868
flat angles C4'-P-C4' energy: -105.316
flat angles P-C4'-P energy: -52.822
tors. eta vs tors. theta energy: -77.296
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: 3
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -901.847761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.847761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.847761 (E_RNA)
where:
Base-Base interactions energy: -535.677
where: short stacking energy: -267.113
Base-Backbone interact. energy: 3.389
local terms energy: -369.559182
where:
bonds (distance) C4'-P energy: -76.780
bonds (distance) P-C4' energy: -107.033
flat angles C4'-P-C4' energy: -102.465
flat angles P-C4'-P energy: -41.784
tors. eta vs tors. theta energy: -41.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -546.346087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.346087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.346087 (E_RNA)
where:
Base-Base interactions energy: -264.295
where: short stacking energy: -180.218
Base-Backbone interact. energy: 4.334
local terms energy: -286.385054
where:
bonds (distance) C4'-P energy: -84.147
bonds (distance) P-C4' energy: -84.768
flat angles C4'-P-C4' energy: -82.795
flat angles P-C4'-P energy: -34.248
tors. eta vs tors. theta energy: -0.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1815.464151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.464151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.464151 (E_RNA)
where:
Base-Base interactions energy: -1235.369
where: short stacking energy: -537.612
Base-Backbone interact. energy: -5.559
local terms energy: -574.536775
where:
bonds (distance) C4'-P energy: -107.106
bonds (distance) P-C4' energy: -102.991
flat angles C4'-P-C4' energy: -121.672
flat angles P-C4'-P energy: -85.534
tors. eta vs tors. theta energy: -157.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1695.860729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.860729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.860729 (E_RNA)
where:
Base-Base interactions energy: -1153.640
where: short stacking energy: -515.824
Base-Backbone interact. energy: -2.565
local terms energy: -539.655790
where:
bonds (distance) C4'-P energy: -85.879
bonds (distance) P-C4' energy: -112.490
flat angles C4'-P-C4' energy: -119.187
flat angles P-C4'-P energy: -85.555
tors. eta vs tors. theta energy: -136.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1546.963242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.963242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.963242 (E_RNA)
where:
Base-Base interactions energy: -1028.327
where: short stacking energy: -448.337
Base-Backbone interact. energy: -0.085
local terms energy: -518.552211
where:
bonds (distance) C4'-P energy: -99.147
bonds (distance) P-C4' energy: -103.919
flat angles C4'-P-C4' energy: -121.905
flat angles P-C4'-P energy: -71.100
tors. eta vs tors. theta energy: -122.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1568.791809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.791809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.791809 (E_RNA)
where:
Base-Base interactions energy: -1060.020
where: short stacking energy: -488.116
Base-Backbone interact. energy: -1.975
local terms energy: -506.796335
where:
bonds (distance) C4'-P energy: -99.897
bonds (distance) P-C4' energy: -103.846
flat angles C4'-P-C4' energy: -98.375
flat angles P-C4'-P energy: -78.264
tors. eta vs tors. theta energy: -126.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1348.291852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.291852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.291852 (E_RNA)
where:
Base-Base interactions energy: -915.094
where: short stacking energy: -408.249
Base-Backbone interact. energy: -1.583
local terms energy: -431.614838
where:
bonds (distance) C4'-P energy: -88.907
bonds (distance) P-C4' energy: -94.557
flat angles C4'-P-C4' energy: -91.173
flat angles P-C4'-P energy: -60.820
tors. eta vs tors. theta energy: -96.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1321.830855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.830855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.830855 (E_RNA)
where:
Base-Base interactions energy: -855.469
where: short stacking energy: -388.208
Base-Backbone interact. energy: -1.852
local terms energy: -464.510081
where:
bonds (distance) C4'-P energy: -107.120
bonds (distance) P-C4' energy: -97.821
flat angles C4'-P-C4' energy: -99.830
flat angles P-C4'-P energy: -58.895
tors. eta vs tors. theta energy: -100.844
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: 7, replica: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1227.680408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.680408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.680408 (E_RNA)
where:
Base-Base interactions energy: -807.943
where: short stacking energy: -350.421
Base-Backbone interact. energy: -0.777
local terms energy: -418.960693
where:
bonds (distance) C4'-P energy: -76.607
bonds (distance) P-C4' energy: -102.148
flat angles C4'-P-C4' energy: -104.353
flat angles P-C4'-P energy: -56.774
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: 8, replica: 2
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1103.278799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.278799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.278799 (E_RNA)
where:
Base-Base interactions energy: -709.868
where: short stacking energy: -291.072
Base-Backbone interact. energy: 4.974
local terms energy: -398.384919
where:
bonds (distance) C4'-P energy: -99.869
bonds (distance) P-C4' energy: -87.198
flat angles C4'-P-C4' energy: -91.928
flat angles P-C4'-P energy: -53.564
tors. eta vs tors. theta energy: -65.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -929.550439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.550439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.550439 (E_RNA)
where:
Base-Base interactions energy: -580.884
where: short stacking energy: -274.046
Base-Backbone interact. energy: -2.536
local terms energy: -346.130943
where:
bonds (distance) C4'-P energy: -69.989
bonds (distance) P-C4' energy: -85.198
flat angles C4'-P-C4' energy: -99.867
flat angles P-C4'-P energy: -46.398
tors. eta vs tors. theta energy: -44.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -508.809947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.809947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.809947 (E_RNA)
where:
Base-Base interactions energy: -211.711
where: short stacking energy: -148.115
Base-Backbone interact. energy: 1.069
local terms energy: -298.167835
where:
bonds (distance) C4'-P energy: -86.394
bonds (distance) P-C4' energy: -85.688
flat angles C4'-P-C4' energy: -94.190
flat angles P-C4'-P energy: -45.020
tors. eta vs tors. theta energy: 13.125
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: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1793.279013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.279013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.279013 (E_RNA)
where:
Base-Base interactions energy: -1231.886
where: short stacking energy: -529.320
Base-Backbone interact. energy: -6.551
local terms energy: -554.842427
where:
bonds (distance) C4'-P energy: -95.291
bonds (distance) P-C4' energy: -108.640
flat angles C4'-P-C4' energy: -128.525
flat angles P-C4'-P energy: -73.962
tors. eta vs tors. theta energy: -148.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1671.471428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.471428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.471428 (E_RNA)
where:
Base-Base interactions energy: -1127.589
where: short stacking energy: -508.242
Base-Backbone interact. energy: -2.947
local terms energy: -540.935595
where:
bonds (distance) C4'-P energy: -102.481
bonds (distance) P-C4' energy: -109.147
flat angles C4'-P-C4' energy: -116.734
flat angles P-C4'-P energy: -78.084
tors. eta vs tors. theta energy: -134.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1583.224676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.224676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.224676 (E_RNA)
where:
Base-Base interactions energy: -1072.613
where: short stacking energy: -464.160
Base-Backbone interact. energy: -4.308
local terms energy: -506.303888
where:
bonds (distance) C4'-P energy: -104.709
bonds (distance) P-C4' energy: -94.396
flat angles C4'-P-C4' energy: -97.278
flat angles P-C4'-P energy: -75.690
tors. eta vs tors. theta energy: -134.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1564.282244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.282244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.282244 (E_RNA)
where:
Base-Base interactions energy: -1082.077
where: short stacking energy: -457.616
Base-Backbone interact. energy: 1.802
local terms energy: -484.007055
where:
bonds (distance) C4'-P energy: -91.021
bonds (distance) P-C4' energy: -96.414
flat angles C4'-P-C4' energy: -108.736
flat angles P-C4'-P energy: -68.558
tors. eta vs tors. theta energy: -119.279
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: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1407.029467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.029467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.029467 (E_RNA)
where:
Base-Base interactions energy: -939.549
where: short stacking energy: -429.679
Base-Backbone interact. energy: -2.494
local terms energy: -464.986444
where:
bonds (distance) C4'-P energy: -93.261
bonds (distance) P-C4' energy: -81.225
flat angles C4'-P-C4' energy: -108.064
flat angles P-C4'-P energy: -71.398
tors. eta vs tors. theta energy: -111.038
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: 9
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1301.225365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.225365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.225365 (E_RNA)
where:
Base-Base interactions energy: -852.712
where: short stacking energy: -383.550
Base-Backbone interact. energy: 2.943
local terms energy: -451.456929
where:
bonds (distance) C4'-P energy: -85.195
bonds (distance) P-C4' energy: -104.395
flat angles C4'-P-C4' energy: -120.520
flat angles P-C4'-P energy: -53.723
tors. eta vs tors. theta energy: -87.624
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: 7, replica: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1200.458266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.458266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.458266 (E_RNA)
where:
Base-Base interactions energy: -779.459
where: short stacking energy: -329.416
Base-Backbone interact. energy: -0.362
local terms energy: -420.636548
where:
bonds (distance) C4'-P energy: -93.236
bonds (distance) P-C4' energy: -94.601
flat angles C4'-P-C4' energy: -106.272
flat angles P-C4'-P energy: -60.610
tors. eta vs tors. theta energy: -65.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1132.290174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.290174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.290174 (E_RNA)
where:
Base-Base interactions energy: -725.214
where: short stacking energy: -313.119
Base-Backbone interact. energy: -2.540
local terms energy: -404.536193
where:
bonds (distance) C4'-P energy: -72.326
bonds (distance) P-C4' energy: -100.691
flat angles C4'-P-C4' energy: -88.623
flat angles P-C4'-P energy: -65.204
tors. eta vs tors. theta energy: -77.692
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: 3
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -941.191021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.191021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.191021 (E_RNA)
where:
Base-Base interactions energy: -570.246
where: short stacking energy: -268.569
Base-Backbone interact. energy: -0.876
local terms energy: -370.068799
where:
bonds (distance) C4'-P energy: -79.550
bonds (distance) P-C4' energy: -104.504
flat angles C4'-P-C4' energy: -99.986
flat angles P-C4'-P energy: -45.724
tors. eta vs tors. theta energy: -40.305
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: 67
Temperature: 1.350000
Total energy: -497.255957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.255957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.255957 (E_RNA)
where:
Base-Base interactions energy: -208.854
where: short stacking energy: -131.782
Base-Backbone interact. energy: 0.052
local terms energy: -288.453456
where:
bonds (distance) C4'-P energy: -86.537
bonds (distance) P-C4' energy: -102.853
flat angles C4'-P-C4' energy: -62.938
flat angles P-C4'-P energy: -51.194
tors. eta vs tors. theta energy: 15.069
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: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1815.620056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.620056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.620056 (E_RNA)
where:
Base-Base interactions energy: -1252.914
where: short stacking energy: -520.994
Base-Backbone interact. energy: -2.440
local terms energy: -560.265910
where:
bonds (distance) C4'-P energy: -108.537
bonds (distance) P-C4' energy: -95.289
flat angles C4'-P-C4' energy: -126.262
flat angles P-C4'-P energy: -79.055
tors. eta vs tors. theta energy: -151.123
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: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1648.514178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.514178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.514178 (E_RNA)
where:
Base-Base interactions energy: -1095.636
where: short stacking energy: -469.047
Base-Backbone interact. energy: 1.362
local terms energy: -554.240759
where:
bonds (distance) C4'-P energy: -102.471
bonds (distance) P-C4' energy: -112.952
flat angles C4'-P-C4' energy: -120.473
flat angles P-C4'-P energy: -84.165
tors. eta vs tors. theta energy: -134.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1555.362549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.362549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.362549 (E_RNA)
where:
Base-Base interactions energy: -1044.273
where: short stacking energy: -439.866
Base-Backbone interact. energy: -1.653
local terms energy: -509.436691
where:
bonds (distance) C4'-P energy: -110.577
bonds (distance) P-C4' energy: -100.416
flat angles C4'-P-C4' energy: -102.830
flat angles P-C4'-P energy: -71.701
tors. eta vs tors. theta energy: -123.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1544.261980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.261980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.261980 (E_RNA)
where:
Base-Base interactions energy: -1033.633
where: short stacking energy: -440.114
Base-Backbone interact. energy: -2.604
local terms energy: -508.024782
where:
bonds (distance) C4'-P energy: -94.405
bonds (distance) P-C4' energy: -96.335
flat angles C4'-P-C4' energy: -122.904
flat angles P-C4'-P energy: -76.380
tors. eta vs tors. theta energy: -118.001
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: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1359.238725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.238725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.238725 (E_RNA)
where:
Base-Base interactions energy: -911.963
where: short stacking energy: -413.924
Base-Backbone interact. energy: -1.488
local terms energy: -445.787418
where:
bonds (distance) C4'-P energy: -100.803
bonds (distance) P-C4' energy: -92.923
flat angles C4'-P-C4' energy: -86.609
flat angles P-C4'-P energy: -67.633
tors. eta vs tors. theta energy: -97.819
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: 6, replica: 9
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1280.179376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.179376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.179376 (E_RNA)
where:
Base-Base interactions energy: -823.178
where: short stacking energy: -392.186
Base-Backbone interact. energy: -0.543
local terms energy: -456.459011
where:
bonds (distance) C4'-P energy: -95.051
bonds (distance) P-C4' energy: -103.947
flat angles C4'-P-C4' energy: -95.056
flat angles P-C4'-P energy: -69.546
tors. eta vs tors. theta energy: -92.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1211.806419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.806419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.806419 (E_RNA)
where:
Base-Base interactions energy: -789.748
where: short stacking energy: -337.921
Base-Backbone interact. energy: -2.127
local terms energy: -419.930552
where:
bonds (distance) C4'-P energy: -89.363
bonds (distance) P-C4' energy: -105.532
flat angles C4'-P-C4' energy: -105.597
flat angles P-C4'-P energy: -54.976
tors. eta vs tors. theta energy: -64.463
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: 2
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1179.702253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.702253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.702253 (E_RNA)
where:
Base-Base interactions energy: -762.135
where: short stacking energy: -318.776
Base-Backbone interact. energy: -3.019
local terms energy: -414.548573
where:
bonds (distance) C4'-P energy: -92.908
bonds (distance) P-C4' energy: -90.216
flat angles C4'-P-C4' energy: -106.738
flat angles P-C4'-P energy: -65.639
tors. eta vs tors. theta energy: -59.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -923.558445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.558445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.558445 (E_RNA)
where:
Base-Base interactions energy: -558.089
where: short stacking energy: -238.067
Base-Backbone interact. energy: -4.047
local terms energy: -361.423020
where:
bonds (distance) C4'-P energy: -94.657
bonds (distance) P-C4' energy: -98.028
flat angles C4'-P-C4' energy: -82.903
flat angles P-C4'-P energy: -40.259
tors. eta vs tors. theta energy: -45.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -508.275881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.275881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.275881 (E_RNA)
where:
Base-Base interactions energy: -215.212
where: short stacking energy: -142.457
Base-Backbone interact. energy: -1.407
local terms energy: -291.656352
where:
bonds (distance) C4'-P energy: -85.981
bonds (distance) P-C4' energy: -105.458
flat angles C4'-P-C4' energy: -73.995
flat angles P-C4'-P energy: -27.581
tors. eta vs tors. theta energy: 1.359
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: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1831.299911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.299911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.299911 (E_RNA)
where:
Base-Base interactions energy: -1243.370
where: short stacking energy: -529.962
Base-Backbone interact. energy: -6.230
local terms energy: -581.699206
where:
bonds (distance) C4'-P energy: -121.718
bonds (distance) P-C4' energy: -99.323
flat angles C4'-P-C4' energy: -127.397
flat angles P-C4'-P energy: -75.756
tors. eta vs tors. theta energy: -157.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1663.538530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.538530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.538530 (E_RNA)
where:
Base-Base interactions energy: -1107.787
where: short stacking energy: -497.936
Base-Backbone interact. energy: -1.606
local terms energy: -554.145338
where:
bonds (distance) C4'-P energy: -116.159
bonds (distance) P-C4' energy: -99.938
flat angles C4'-P-C4' energy: -112.954
flat angles P-C4'-P energy: -87.837
tors. eta vs tors. theta energy: -137.259
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: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1587.016268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.016268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.016268 (E_RNA)
where:
Base-Base interactions energy: -1105.460
where: short stacking energy: -468.433
Base-Backbone interact. energy: -3.122
local terms energy: -478.433752
where:
bonds (distance) C4'-P energy: -94.064
bonds (distance) P-C4' energy: -90.338
flat angles C4'-P-C4' energy: -108.651
flat angles P-C4'-P energy: -61.780
tors. eta vs tors. theta energy: -123.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1539.246636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.246636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.246636 (E_RNA)
where:
Base-Base interactions energy: -1023.264
where: short stacking energy: -437.819
Base-Backbone interact. energy: -2.011
local terms energy: -513.971672
where:
bonds (distance) C4'-P energy: -104.996
bonds (distance) P-C4' energy: -98.463
flat angles C4'-P-C4' energy: -114.360
flat angles P-C4'-P energy: -68.591
tors. eta vs tors. theta energy: -127.562
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: 5
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1418.885546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.885546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.885546 (E_RNA)
where:
Base-Base interactions energy: -923.758
where: short stacking energy: -417.119
Base-Backbone interact. energy: 1.622
local terms energy: -496.749995
where:
bonds (distance) C4'-P energy: -103.306
bonds (distance) P-C4' energy: -108.225
flat angles C4'-P-C4' energy: -100.044
flat angles P-C4'-P energy: -71.538
tors. eta vs tors. theta energy: -113.636
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: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1299.783089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.783089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.783089 (E_RNA)
where:
Base-Base interactions energy: -853.776
where: short stacking energy: -387.107
Base-Backbone interact. energy: -0.049
local terms energy: -445.958308
where:
bonds (distance) C4'-P energy: -88.787
bonds (distance) P-C4' energy: -96.075
flat angles C4'-P-C4' energy: -98.068
flat angles P-C4'-P energy: -70.871
tors. eta vs tors. theta energy: -92.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1181.694857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.694857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.694857 (E_RNA)
where:
Base-Base interactions energy: -780.917
where: short stacking energy: -340.325
Base-Backbone interact. energy: 0.175
local terms energy: -400.952910
where:
bonds (distance) C4'-P energy: -89.505
bonds (distance) P-C4' energy: -98.329
flat angles C4'-P-C4' energy: -98.081
flat angles P-C4'-P energy: -66.348
tors. eta vs tors. theta energy: -48.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1161.611980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.611980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.611980 (E_RNA)
where:
Base-Base interactions energy: -761.003
where: short stacking energy: -322.401
Base-Backbone interact. energy: -0.102
local terms energy: -400.507355
where:
bonds (distance) C4'-P energy: -87.133
bonds (distance) P-C4' energy: -94.226
flat angles C4'-P-C4' energy: -99.921
flat angles P-C4'-P energy: -54.514
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: 9, replica: 3
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -922.985289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.985289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.985289 (E_RNA)
where:
Base-Base interactions energy: -566.797
where: short stacking energy: -275.101
Base-Backbone interact. energy: -0.458
local terms energy: -355.730920
where:
bonds (distance) C4'-P energy: -71.064
bonds (distance) P-C4' energy: -80.596
flat angles C4'-P-C4' energy: -83.890
flat angles P-C4'-P energy: -69.955
tors. eta vs tors. theta energy: -50.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -510.200890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.200890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.200890 (E_RNA)
where:
Base-Base interactions energy: -231.182
where: short stacking energy: -147.644
Base-Backbone interact. energy: -2.335
local terms energy: -276.684154
where:
bonds (distance) C4'-P energy: -96.348
bonds (distance) P-C4' energy: -90.260
flat angles C4'-P-C4' energy: -82.582
flat angles P-C4'-P energy: -24.130
tors. eta vs tors. theta energy: 16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1817.329089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.329089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.329089 (E_RNA)
where:
Base-Base interactions energy: -1236.512
where: short stacking energy: -519.752
Base-Backbone interact. energy: -4.038
local terms energy: -576.778575
where:
bonds (distance) C4'-P energy: -115.128
bonds (distance) P-C4' energy: -109.926
flat angles C4'-P-C4' energy: -113.928
flat angles P-C4'-P energy: -82.903
tors. eta vs tors. theta energy: -154.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1658.871062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.871062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.871062 (E_RNA)
where:
Base-Base interactions energy: -1095.375
where: short stacking energy: -497.308
Base-Backbone interact. energy: -0.111
local terms energy: -563.384945
where:
bonds (distance) C4'-P energy: -105.114
bonds (distance) P-C4' energy: -114.074
flat angles C4'-P-C4' energy: -121.451
flat angles P-C4'-P energy: -84.067
tors. eta vs tors. theta energy: -138.679
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: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1604.000467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.000467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.000467 (E_RNA)
where:
Base-Base interactions energy: -1093.758
where: short stacking energy: -481.652
Base-Backbone interact. energy: -1.322
local terms energy: -508.920168
where:
bonds (distance) C4'-P energy: -80.879
bonds (distance) P-C4' energy: -104.031
flat angles C4'-P-C4' energy: -110.393
flat angles P-C4'-P energy: -73.734
tors. eta vs tors. theta energy: -139.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1481.546690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.546690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.546690 (E_RNA)
where:
Base-Base interactions energy: -995.016
where: short stacking energy: -434.029
Base-Backbone interact. energy: -0.249
local terms energy: -486.281537
where:
bonds (distance) C4'-P energy: -105.535
bonds (distance) P-C4' energy: -103.115
flat angles C4'-P-C4' energy: -106.874
flat angles P-C4'-P energy: -73.088
tors. eta vs tors. theta energy: -97.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1398.896649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.896649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.896649 (E_RNA)
where:
Base-Base interactions energy: -921.471
where: short stacking energy: -409.797
Base-Backbone interact. energy: -0.804
local terms energy: -476.622089
where:
bonds (distance) C4'-P energy: -92.720
bonds (distance) P-C4' energy: -108.439
flat angles C4'-P-C4' energy: -106.006
flat angles P-C4'-P energy: -73.065
tors. eta vs tors. theta energy: -96.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1312.151929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.151929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.151929 (E_RNA)
where:
Base-Base interactions energy: -835.671
where: short stacking energy: -368.516
Base-Backbone interact. energy: -2.975
local terms energy: -473.505579
where:
bonds (distance) C4'-P energy: -92.481
bonds (distance) P-C4' energy: -111.146
flat angles C4'-P-C4' energy: -104.923
flat angles P-C4'-P energy: -70.394
tors. eta vs tors. theta energy: -94.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1217.851349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.851349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.851349 (E_RNA)
where:
Base-Base interactions energy: -792.790
where: short stacking energy: -362.819
Base-Backbone interact. energy: -1.526
local terms energy: -423.535324
where:
bonds (distance) C4'-P energy: -86.242
bonds (distance) P-C4' energy: -88.056
flat angles C4'-P-C4' energy: -97.836
flat angles P-C4'-P energy: -66.862
tors. eta vs tors. theta energy: -84.539
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: 6
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1094.361664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.361664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.361664 (E_RNA)
where:
Base-Base interactions energy: -704.405
where: short stacking energy: -307.985
Base-Backbone interact. energy: 2.978
local terms energy: -392.934932
where:
bonds (distance) C4'-P energy: -81.044
bonds (distance) P-C4' energy: -96.535
flat angles C4'-P-C4' energy: -94.123
flat angles P-C4'-P energy: -56.121
tors. eta vs tors. theta energy: -65.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -928.535118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.535118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.535118 (E_RNA)
where:
Base-Base interactions energy: -570.538
where: short stacking energy: -252.892
Base-Backbone interact. energy: -2.559
local terms energy: -355.437941
where:
bonds (distance) C4'-P energy: -75.778
bonds (distance) P-C4' energy: -94.325
flat angles C4'-P-C4' energy: -91.991
flat angles P-C4'-P energy: -58.818
tors. eta vs tors. theta energy: -34.526
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: 70
Temperature: 1.350000
Total energy: -477.538968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.538968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.538968 (E_RNA)
where:
Base-Base interactions energy: -194.320
where: short stacking energy: -127.297
Base-Backbone interact. energy: -0.663
local terms energy: -282.556605
where:
bonds (distance) C4'-P energy: -79.972
bonds (distance) P-C4' energy: -86.451
flat angles C4'-P-C4' energy: -90.914
flat angles P-C4'-P energy: -43.856
tors. eta vs tors. theta energy: 18.636
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: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1804.818385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.818385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.818385 (E_RNA)
where:
Base-Base interactions energy: -1246.235
where: short stacking energy: -539.159
Base-Backbone interact. energy: -5.664
local terms energy: -552.919589
where:
bonds (distance) C4'-P energy: -113.860
bonds (distance) P-C4' energy: -105.905
flat angles C4'-P-C4' energy: -112.251
flat angles P-C4'-P energy: -74.918
tors. eta vs tors. theta energy: -145.987
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: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1648.957132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.957132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.957132 (E_RNA)
where:
Base-Base interactions energy: -1102.598
where: short stacking energy: -486.138
Base-Backbone interact. energy: -4.899
local terms energy: -541.460388
where:
bonds (distance) C4'-P energy: -102.506
bonds (distance) P-C4' energy: -110.109
flat angles C4'-P-C4' energy: -109.824
flat angles P-C4'-P energy: -85.167
tors. eta vs tors. theta energy: -133.853
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: 7
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1580.320048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.320048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.320048 (E_RNA)
where:
Base-Base interactions energy: -1063.966
where: short stacking energy: -461.674
Base-Backbone interact. energy: -1.919
local terms energy: -514.435048
where:
bonds (distance) C4'-P energy: -93.449
bonds (distance) P-C4' energy: -99.885
flat angles C4'-P-C4' energy: -113.171
flat angles P-C4'-P energy: -77.298
tors. eta vs tors. theta energy: -130.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1503.042699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.042699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.042699 (E_RNA)
where:
Base-Base interactions energy: -993.851
where: short stacking energy: -444.735
Base-Backbone interact. energy: -0.107
local terms energy: -509.084514
where:
bonds (distance) C4'-P energy: -100.023
bonds (distance) P-C4' energy: -119.127
flat angles C4'-P-C4' energy: -100.851
flat angles P-C4'-P energy: -74.880
tors. eta vs tors. theta energy: -114.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1380.870823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.870823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.870823 (E_RNA)
where:
Base-Base interactions energy: -912.389
where: short stacking energy: -388.912
Base-Backbone interact. energy: -0.386
local terms energy: -468.095645
where:
bonds (distance) C4'-P energy: -96.340
bonds (distance) P-C4' energy: -110.532
flat angles C4'-P-C4' energy: -107.410
flat angles P-C4'-P energy: -66.131
tors. eta vs tors. theta energy: -87.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1292.906225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.906225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.906225 (E_RNA)
where:
Base-Base interactions energy: -848.391
where: short stacking energy: -379.498
Base-Backbone interact. energy: 1.159
local terms energy: -445.673830
where:
bonds (distance) C4'-P energy: -77.153
bonds (distance) P-C4' energy: -113.601
flat angles C4'-P-C4' energy: -99.522
flat angles P-C4'-P energy: -67.871
tors. eta vs tors. theta energy: -87.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1232.588692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.588692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.588692 (E_RNA)
where:
Base-Base interactions energy: -815.176
where: short stacking energy: -341.542
Base-Backbone interact. energy: 1.997
local terms energy: -419.409394
where:
bonds (distance) C4'-P energy: -87.384
bonds (distance) P-C4' energy: -92.958
flat angles C4'-P-C4' energy: -97.600
flat angles P-C4'-P energy: -55.946
tors. eta vs tors. theta energy: -85.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1109.928515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.928515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.928515 (E_RNA)
where:
Base-Base interactions energy: -701.091
where: short stacking energy: -286.907
Base-Backbone interact. energy: -1.011
local terms energy: -407.825923
where:
bonds (distance) C4'-P energy: -93.973
bonds (distance) P-C4' energy: -96.698
flat angles C4'-P-C4' energy: -91.386
flat angles P-C4'-P energy: -66.609
tors. eta vs tors. theta energy: -59.160
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: 9, replica: 3
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -946.339850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.339850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.339850 (E_RNA)
where:
Base-Base interactions energy: -604.201
where: short stacking energy: -281.394
Base-Backbone interact. energy: 1.820
local terms energy: -343.958373
where:
bonds (distance) C4'-P energy: -93.263
bonds (distance) P-C4' energy: -103.496
flat angles C4'-P-C4' energy: -70.631
flat angles P-C4'-P energy: -36.750
tors. eta vs tors. theta energy: -39.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -524.676422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.676422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.676422 (E_RNA)
where:
Base-Base interactions energy: -233.633
where: short stacking energy: -162.443
Base-Backbone interact. energy: 0.554
local terms energy: -291.597810
where:
bonds (distance) C4'-P energy: -81.224
bonds (distance) P-C4' energy: -90.627
flat angles C4'-P-C4' energy: -61.792
flat angles P-C4'-P energy: -58.517
tors. eta vs tors. theta energy: 0.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1831.007607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.007607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.007607 (E_RNA)
where:
Base-Base interactions energy: -1253.767
where: short stacking energy: -515.621
Base-Backbone interact. energy: -6.295
local terms energy: -570.945054
where:
bonds (distance) C4'-P energy: -105.154
bonds (distance) P-C4' energy: -111.698
flat angles C4'-P-C4' energy: -122.157
flat angles P-C4'-P energy: -85.928
tors. eta vs tors. theta energy: -146.008
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: 1
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1639.769761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.769761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.769761 (E_RNA)
where:
Base-Base interactions energy: -1099.063
where: short stacking energy: -505.387
Base-Backbone interact. energy: -2.915
local terms energy: -537.791529
where:
bonds (distance) C4'-P energy: -101.220
bonds (distance) P-C4' energy: -103.048
flat angles C4'-P-C4' energy: -111.104
flat angles P-C4'-P energy: -81.300
tors. eta vs tors. theta energy: -141.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1571.567955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.567955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.567955 (E_RNA)
where:
Base-Base interactions energy: -1039.660
where: short stacking energy: -486.983
Base-Backbone interact. energy: -0.665
local terms energy: -531.242960
where:
bonds (distance) C4'-P energy: -99.991
bonds (distance) P-C4' energy: -100.027
flat angles C4'-P-C4' energy: -113.575
flat angles P-C4'-P energy: -90.363
tors. eta vs tors. theta energy: -127.287
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: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1518.871947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.871947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.871947 (E_RNA)
where:
Base-Base interactions energy: -973.021
where: short stacking energy: -438.722
Base-Backbone interact. energy: -5.190
local terms energy: -540.660477
where:
bonds (distance) C4'-P energy: -111.257
bonds (distance) P-C4' energy: -115.718
flat angles C4'-P-C4' energy: -116.194
flat angles P-C4'-P energy: -73.763
tors. eta vs tors. theta energy: -123.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1444.301835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.301835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.301835 (E_RNA)
where:
Base-Base interactions energy: -962.521
where: short stacking energy: -423.573
Base-Backbone interact. energy: -1.037
local terms energy: -480.743237
where:
bonds (distance) C4'-P energy: -109.885
bonds (distance) P-C4' energy: -93.948
flat angles C4'-P-C4' energy: -109.028
flat angles P-C4'-P energy: -60.290
tors. eta vs tors. theta energy: -107.593
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: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1301.778521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.778521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.778521 (E_RNA)
where:
Base-Base interactions energy: -837.926
where: short stacking energy: -400.412
Base-Backbone interact. energy: 0.876
local terms energy: -464.728444
where:
bonds (distance) C4'-P energy: -99.551
bonds (distance) P-C4' energy: -108.818
flat angles C4'-P-C4' energy: -90.552
flat angles P-C4'-P energy: -69.479
tors. eta vs tors. theta energy: -96.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1207.433519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.433519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.433519 (E_RNA)
where:
Base-Base interactions energy: -776.966
where: short stacking energy: -337.040
Base-Backbone interact. energy: -1.373
local terms energy: -429.094489
where:
bonds (distance) C4'-P energy: -87.536
bonds (distance) P-C4' energy: -103.393
flat angles C4'-P-C4' energy: -107.879
flat angles P-C4'-P energy: -52.022
tors. eta vs tors. theta energy: -78.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1152.445502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.445502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.445502 (E_RNA)
where:
Base-Base interactions energy: -752.980
where: short stacking energy: -328.251
Base-Backbone interact. energy: -3.371
local terms energy: -396.094398
where:
bonds (distance) C4'-P energy: -83.792
bonds (distance) P-C4' energy: -92.227
flat angles C4'-P-C4' energy: -99.426
flat angles P-C4'-P energy: -50.991
tors. eta vs tors. theta energy: -69.659
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: 3
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -1003.213023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.213023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.213023 (E_RNA)
where:
Base-Base interactions energy: -635.084
where: short stacking energy: -282.938
Base-Backbone interact. energy: 0.936
local terms energy: -369.064583
where:
bonds (distance) C4'-P energy: -97.194
bonds (distance) P-C4' energy: -88.271
flat angles C4'-P-C4' energy: -93.211
flat angles P-C4'-P energy: -49.199
tors. eta vs tors. theta energy: -41.188
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: 72
Temperature: 1.350000
Total energy: -495.226369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.226369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.226369 (E_RNA)
where:
Base-Base interactions energy: -215.039
where: short stacking energy: -147.287
Base-Backbone interact. energy: -1.825
local terms energy: -278.361498
where:
bonds (distance) C4'-P energy: -69.841
bonds (distance) P-C4' energy: -92.742
flat angles C4'-P-C4' energy: -86.280
flat angles P-C4'-P energy: -46.209
tors. eta vs tors. theta energy: 16.710
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: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1795.544766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.544766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.544766 (E_RNA)
where:
Base-Base interactions energy: -1238.816
where: short stacking energy: -512.102
Base-Backbone interact. energy: -3.258
local terms energy: -553.471066
where:
bonds (distance) C4'-P energy: -106.252
bonds (distance) P-C4' energy: -107.163
flat angles C4'-P-C4' energy: -109.985
flat angles P-C4'-P energy: -83.555
tors. eta vs tors. theta energy: -146.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1631.683767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.683767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.683767 (E_RNA)
where:
Base-Base interactions energy: -1098.485
where: short stacking energy: -491.220
Base-Backbone interact. energy: -1.802
local terms energy: -531.397110
where:
bonds (distance) C4'-P energy: -98.193
bonds (distance) P-C4' energy: -113.159
flat angles C4'-P-C4' energy: -109.355
flat angles P-C4'-P energy: -74.842
tors. eta vs tors. theta energy: -135.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1572.121157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.121157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.121157 (E_RNA)
where:
Base-Base interactions energy: -1067.789
where: short stacking energy: -480.640
Base-Backbone interact. energy: -1.116
local terms energy: -503.216726
where:
bonds (distance) C4'-P energy: -90.741
bonds (distance) P-C4' energy: -96.442
flat angles C4'-P-C4' energy: -114.695
flat angles P-C4'-P energy: -72.721
tors. eta vs tors. theta energy: -128.618
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: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1504.954170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.954170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.954170 (E_RNA)
where:
Base-Base interactions energy: -1014.105
where: short stacking energy: -459.746
Base-Backbone interact. energy: 1.700
local terms energy: -492.548864
where:
bonds (distance) C4'-P energy: -90.692
bonds (distance) P-C4' energy: -97.901
flat angles C4'-P-C4' energy: -114.931
flat angles P-C4'-P energy: -72.590
tors. eta vs tors. theta energy: -116.435
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: 5
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1447.144151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.144151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.144151 (E_RNA)
where:
Base-Base interactions energy: -959.123
where: short stacking energy: -407.505
Base-Backbone interact. energy: -1.608
local terms energy: -486.412716
where:
bonds (distance) C4'-P energy: -96.853
bonds (distance) P-C4' energy: -98.032
flat angles C4'-P-C4' energy: -115.759
flat angles P-C4'-P energy: -63.854
tors. eta vs tors. theta energy: -111.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1289.966139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.966139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.966139 (E_RNA)
where:
Base-Base interactions energy: -827.037
where: short stacking energy: -354.482
Base-Backbone interact. energy: 1.687
local terms energy: -464.616504
where:
bonds (distance) C4'-P energy: -100.110
bonds (distance) P-C4' energy: -98.560
flat angles C4'-P-C4' energy: -110.238
flat angles P-C4'-P energy: -72.060
tors. eta vs tors. theta energy: -83.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1200.025824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.025824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.025824 (E_RNA)
where:
Base-Base interactions energy: -783.860
where: short stacking energy: -356.236
Base-Backbone interact. energy: -2.849
local terms energy: -413.316450
where:
bonds (distance) C4'-P energy: -104.856
bonds (distance) P-C4' energy: -95.667
flat angles C4'-P-C4' energy: -90.190
flat angles P-C4'-P energy: -46.418
tors. eta vs tors. theta energy: -76.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1111.868889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.868889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.868889 (E_RNA)
where:
Base-Base interactions energy: -732.468
where: short stacking energy: -312.714
Base-Backbone interact. energy: -2.121
local terms energy: -377.279277
where:
bonds (distance) C4'-P energy: -83.019
bonds (distance) P-C4' energy: -78.153
flat angles C4'-P-C4' energy: -80.517
flat angles P-C4'-P energy: -70.277
tors. eta vs tors. theta energy: -65.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -952.203916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.203916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.203916 (E_RNA)
where:
Base-Base interactions energy: -591.419
where: short stacking energy: -260.670
Base-Backbone interact. energy: 4.740
local terms energy: -365.524947
where:
bonds (distance) C4'-P energy: -78.265
bonds (distance) P-C4' energy: -73.635
flat angles C4'-P-C4' energy: -93.512
flat angles P-C4'-P energy: -63.110
tors. eta vs tors. theta energy: -57.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -470.494543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.494543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.494543 (E_RNA)
where:
Base-Base interactions energy: -203.203
where: short stacking energy: -146.872
Base-Backbone interact. energy: -0.401
local terms energy: -266.889976
where:
bonds (distance) C4'-P energy: -82.954
bonds (distance) P-C4' energy: -87.640
flat angles C4'-P-C4' energy: -78.966
flat angles P-C4'-P energy: -30.440
tors. eta vs tors. theta energy: 13.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1807.148989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.148989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.148989 (E_RNA)
where:
Base-Base interactions energy: -1234.669
where: short stacking energy: -515.082
Base-Backbone interact. energy: -1.440
local terms energy: -571.039942
where:
bonds (distance) C4'-P energy: -109.684
bonds (distance) P-C4' energy: -111.091
flat angles C4'-P-C4' energy: -124.653
flat angles P-C4'-P energy: -84.825
tors. eta vs tors. theta energy: -140.788
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: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1648.904690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.904690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.904690 (E_RNA)
where:
Base-Base interactions energy: -1096.834
where: short stacking energy: -492.344
Base-Backbone interact. energy: -3.509
local terms energy: -548.561530
where:
bonds (distance) C4'-P energy: -107.589
bonds (distance) P-C4' energy: -109.867
flat angles C4'-P-C4' energy: -118.221
flat angles P-C4'-P energy: -81.713
tors. eta vs tors. theta energy: -131.172
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: 8
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1523.551529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.551529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.551529 (E_RNA)
where:
Base-Base interactions energy: -1003.606
where: short stacking energy: -434.047
Base-Backbone interact. energy: 0.773
local terms energy: -520.718524
where:
bonds (distance) C4'-P energy: -109.829
bonds (distance) P-C4' energy: -109.348
flat angles C4'-P-C4' energy: -106.872
flat angles P-C4'-P energy: -74.033
tors. eta vs tors. theta energy: -120.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1537.245821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.245821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.245821 (E_RNA)
where:
Base-Base interactions energy: -1027.362
where: short stacking energy: -437.529
Base-Backbone interact. energy: -2.367
local terms energy: -507.516143
where:
bonds (distance) C4'-P energy: -91.299
bonds (distance) P-C4' energy: -108.294
flat angles C4'-P-C4' energy: -118.259
flat angles P-C4'-P energy: -81.857
tors. eta vs tors. theta energy: -107.808
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: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1459.050115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.050115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.050115 (E_RNA)
where:
Base-Base interactions energy: -971.871
where: short stacking energy: -426.422
Base-Backbone interact. energy: -3.360
local terms energy: -483.819140
where:
bonds (distance) C4'-P energy: -86.217
bonds (distance) P-C4' energy: -110.841
flat angles C4'-P-C4' energy: -108.463
flat angles P-C4'-P energy: -72.223
tors. eta vs tors. theta energy: -106.076
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: 2
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1308.996019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.996019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.996019 (E_RNA)
where:
Base-Base interactions energy: -846.417
where: short stacking energy: -397.627
Base-Backbone interact. energy: 0.270
local terms energy: -462.848593
where:
bonds (distance) C4'-P energy: -96.476
bonds (distance) P-C4' energy: -98.373
flat angles C4'-P-C4' energy: -103.628
flat angles P-C4'-P energy: -74.787
tors. eta vs tors. theta energy: -89.585
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: 74
Temperature: 1.200000
Total energy: -1223.190510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.190510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.190510 (E_RNA)
where:
Base-Base interactions energy: -780.365
where: short stacking energy: -358.992
Base-Backbone interact. energy: -2.508
local terms energy: -440.318094
where:
bonds (distance) C4'-P energy: -102.923
bonds (distance) P-C4' energy: -89.770
flat angles C4'-P-C4' energy: -107.138
flat angles P-C4'-P energy: -57.709
tors. eta vs tors. theta energy: -82.778
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: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1085.755369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.755369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.755369 (E_RNA)
where:
Base-Base interactions energy: -716.162
where: short stacking energy: -304.738
Base-Backbone interact. energy: 0.095
local terms energy: -369.687861
where:
bonds (distance) C4'-P energy: -79.902
bonds (distance) P-C4' energy: -83.678
flat angles C4'-P-C4' energy: -76.117
flat angles P-C4'-P energy: -72.978
tors. eta vs tors. theta energy: -57.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -988.275190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.275190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.275190 (E_RNA)
where:
Base-Base interactions energy: -638.971
where: short stacking energy: -305.323
Base-Backbone interact. energy: 1.266
local terms energy: -350.570356
where:
bonds (distance) C4'-P energy: -82.103
bonds (distance) P-C4' energy: -84.653
flat angles C4'-P-C4' energy: -87.473
flat angles P-C4'-P energy: -46.991
tors. eta vs tors. theta energy: -49.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -475.682161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.682161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.682161 (E_RNA)
where:
Base-Base interactions energy: -191.885
where: short stacking energy: -109.233
Base-Backbone interact. energy: -2.641
local terms energy: -281.155432
where:
bonds (distance) C4'-P energy: -91.792
bonds (distance) P-C4' energy: -96.411
flat angles C4'-P-C4' energy: -73.706
flat angles P-C4'-P energy: -51.187
tors. eta vs tors. theta energy: 31.941
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: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1801.632741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.632741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.632741 (E_RNA)
where:
Base-Base interactions energy: -1225.216
where: short stacking energy: -537.121
Base-Backbone interact. energy: -3.246
local terms energy: -573.170398
where:
bonds (distance) C4'-P energy: -98.961
bonds (distance) P-C4' energy: -124.313
flat angles C4'-P-C4' energy: -115.480
flat angles P-C4'-P energy: -82.981
tors. eta vs tors. theta energy: -151.435
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: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1646.350299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.350299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.350299 (E_RNA)
where:
Base-Base interactions energy: -1092.078
where: short stacking energy: -489.959
Base-Backbone interact. energy: -5.656
local terms energy: -548.616239
where:
bonds (distance) C4'-P energy: -111.564
bonds (distance) P-C4' energy: -101.283
flat angles C4'-P-C4' energy: -122.524
flat angles P-C4'-P energy: -79.619
tors. eta vs tors. theta energy: -133.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1555.337242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.337242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.337242 (E_RNA)
where:
Base-Base interactions energy: -1015.559
where: short stacking energy: -480.849
Base-Backbone interact. energy: -0.321
local terms energy: -539.456703
where:
bonds (distance) C4'-P energy: -106.233
bonds (distance) P-C4' energy: -100.886
flat angles C4'-P-C4' energy: -115.011
flat angles P-C4'-P energy: -75.721
tors. eta vs tors. theta energy: -141.605
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: 4, replica: 1
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1529.462387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.462387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.462387 (E_RNA)
where:
Base-Base interactions energy: -1021.582
where: short stacking energy: -457.432
Base-Backbone interact. energy: -0.070
local terms energy: -507.811027
where:
bonds (distance) C4'-P energy: -87.675
bonds (distance) P-C4' energy: -106.679
flat angles C4'-P-C4' energy: -114.469
flat angles P-C4'-P energy: -68.073
tors. eta vs tors. theta energy: -130.915
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: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1453.776935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.776935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.776935 (E_RNA)
where:
Base-Base interactions energy: -970.480
where: short stacking energy: -414.708
Base-Backbone interact. energy: -1.853
local terms energy: -481.443872
where:
bonds (distance) C4'-P energy: -102.413
bonds (distance) P-C4' energy: -103.995
flat angles C4'-P-C4' energy: -113.633
flat angles P-C4'-P energy: -69.602
tors. eta vs tors. theta energy: -91.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1280.502285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.502285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.502285 (E_RNA)
where:
Base-Base interactions energy: -837.332
where: short stacking energy: -379.614
Base-Backbone interact. energy: 2.150
local terms energy: -445.320552
where:
bonds (distance) C4'-P energy: -96.374
bonds (distance) P-C4' energy: -94.542
flat angles C4'-P-C4' energy: -108.569
flat angles P-C4'-P energy: -64.295
tors. eta vs tors. theta energy: -81.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1265.872292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.872292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.872292 (E_RNA)
where:
Base-Base interactions energy: -851.928
where: short stacking energy: -379.997
Base-Backbone interact. energy: 3.944
local terms energy: -417.887925
where:
bonds (distance) C4'-P energy: -92.315
bonds (distance) P-C4' energy: -82.813
flat angles C4'-P-C4' energy: -97.397
flat angles P-C4'-P energy: -52.110
tors. eta vs tors. theta energy: -93.254
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: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1120.576742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.576742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.576742 (E_RNA)
where:
Base-Base interactions energy: -728.178
where: short stacking energy: -321.323
Base-Backbone interact. energy: -0.457
local terms energy: -391.941681
where:
bonds (distance) C4'-P energy: -89.021
bonds (distance) P-C4' energy: -86.820
flat angles C4'-P-C4' energy: -101.800
flat angles P-C4'-P energy: -48.085
tors. eta vs tors. theta energy: -66.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1003.988403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.988403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.988403 (E_RNA)
where:
Base-Base interactions energy: -644.791
where: short stacking energy: -282.782
Base-Backbone interact. energy: -0.674
local terms energy: -358.523451
where:
bonds (distance) C4'-P energy: -81.518
bonds (distance) P-C4' energy: -88.697
flat angles C4'-P-C4' energy: -83.890
flat angles P-C4'-P energy: -51.952
tors. eta vs tors. theta energy: -52.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -480.085444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.085444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.085444 (E_RNA)
where:
Base-Base interactions energy: -206.345
where: short stacking energy: -118.008
Base-Backbone interact. energy: -2.137
local terms energy: -271.603276
where:
bonds (distance) C4'-P energy: -94.092
bonds (distance) P-C4' energy: -80.108
flat angles C4'-P-C4' energy: -77.927
flat angles P-C4'-P energy: -41.523
tors. eta vs tors. theta energy: 22.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1821.364931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.364931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.364931 (E_RNA)
where:
Base-Base interactions energy: -1246.190
where: short stacking energy: -529.596
Base-Backbone interact. energy: -4.089
local terms energy: -571.086274
where:
bonds (distance) C4'-P energy: -101.628
bonds (distance) P-C4' energy: -116.356
flat angles C4'-P-C4' energy: -116.273
flat angles P-C4'-P energy: -80.078
tors. eta vs tors. theta energy: -156.751
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: 7
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1672.434301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.434301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.434301 (E_RNA)
where:
Base-Base interactions energy: -1125.043
where: short stacking energy: -529.852
Base-Backbone interact. energy: -2.793
local terms energy: -544.597804
where:
bonds (distance) C4'-P energy: -94.158
bonds (distance) P-C4' energy: -96.946
flat angles C4'-P-C4' energy: -122.322
flat angles P-C4'-P energy: -86.510
tors. eta vs tors. theta energy: -144.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1613.556329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.556329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.556329 (E_RNA)
where:
Base-Base interactions energy: -1068.933
where: short stacking energy: -480.415
Base-Backbone interact. energy: 8.237
local terms energy: -552.860896
where:
bonds (distance) C4'-P energy: -98.296
bonds (distance) P-C4' energy: -120.952
flat angles C4'-P-C4' energy: -113.103
flat angles P-C4'-P energy: -81.010
tors. eta vs tors. theta energy: -139.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1539.136567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.136567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.136567 (E_RNA)
where:
Base-Base interactions energy: -1026.179
where: short stacking energy: -460.440
Base-Backbone interact. energy: -0.997
local terms energy: -511.960433
where:
bonds (distance) C4'-P energy: -102.544
bonds (distance) P-C4' energy: -99.063
flat angles C4'-P-C4' energy: -116.836
flat angles P-C4'-P energy: -66.360
tors. eta vs tors. theta energy: -127.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1424.354964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.354964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.354964 (E_RNA)
where:
Base-Base interactions energy: -951.735
where: short stacking energy: -406.986
Base-Backbone interact. energy: 1.840
local terms energy: -474.459245
where:
bonds (distance) C4'-P energy: -89.795
bonds (distance) P-C4' energy: -103.139
flat angles C4'-P-C4' energy: -111.384
flat angles P-C4'-P energy: -67.612
tors. eta vs tors. theta energy: -102.530
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: 6, replica: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1299.019455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.019455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.019455 (E_RNA)
where:
Base-Base interactions energy: -866.838
where: short stacking energy: -368.948
Base-Backbone interact. energy: 0.370
local terms energy: -432.550943
where:
bonds (distance) C4'-P energy: -95.770
bonds (distance) P-C4' energy: -80.880
flat angles C4'-P-C4' energy: -108.689
flat angles P-C4'-P energy: -59.924
tors. eta vs tors. theta energy: -87.288
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: 9
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1261.990852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.990852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.990852 (E_RNA)
where:
Base-Base interactions energy: -847.112
where: short stacking energy: -381.290
Base-Backbone interact. energy: -3.541
local terms energy: -411.338026
where:
bonds (distance) C4'-P energy: -92.057
bonds (distance) P-C4' energy: -84.134
flat angles C4'-P-C4' energy: -91.745
flat angles P-C4'-P energy: -51.247
tors. eta vs tors. theta energy: -92.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1145.790719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.790719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.790719 (E_RNA)
where:
Base-Base interactions energy: -744.354
where: short stacking energy: -334.493
Base-Backbone interact. energy: -2.623
local terms energy: -398.813887
where:
bonds (distance) C4'-P energy: -90.494
bonds (distance) P-C4' energy: -91.286
flat angles C4'-P-C4' energy: -86.912
flat angles P-C4'-P energy: -56.929
tors. eta vs tors. theta energy: -73.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -967.035183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.035183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.035183 (E_RNA)
where:
Base-Base interactions energy: -621.363
where: short stacking energy: -270.166
Base-Backbone interact. energy: 1.407
local terms energy: -347.079589
where:
bonds (distance) C4'-P energy: -81.916
bonds (distance) P-C4' energy: -91.154
flat angles C4'-P-C4' energy: -83.654
flat angles P-C4'-P energy: -51.767
tors. eta vs tors. theta energy: -38.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -555.662269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.662269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.662269 (E_RNA)
where:
Base-Base interactions energy: -250.211
where: short stacking energy: -176.605
Base-Backbone interact. energy: -2.972
local terms energy: -302.479434
where:
bonds (distance) C4'-P energy: -70.645
bonds (distance) P-C4' energy: -80.942
flat angles C4'-P-C4' energy: -93.678
flat angles P-C4'-P energy: -48.702
tors. eta vs tors. theta energy: -8.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1821.332461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.332461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.332461 (E_RNA)
where:
Base-Base interactions energy: -1251.975
where: short stacking energy: -525.018
Base-Backbone interact. energy: -0.523
local terms energy: -568.834221
where:
bonds (distance) C4'-P energy: -104.228
bonds (distance) P-C4' energy: -110.256
flat angles C4'-P-C4' energy: -119.154
flat angles P-C4'-P energy: -80.245
tors. eta vs tors. theta energy: -154.951
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: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1639.560995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.560995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.560995 (E_RNA)
where:
Base-Base interactions energy: -1102.375
where: short stacking energy: -516.584
Base-Backbone interact. energy: -0.567
local terms energy: -536.619006
where:
bonds (distance) C4'-P energy: -101.494
bonds (distance) P-C4' energy: -95.221
flat angles C4'-P-C4' energy: -115.912
flat angles P-C4'-P energy: -79.897
tors. eta vs tors. theta energy: -144.095
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: 8
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1566.133719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.133719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.133719 (E_RNA)
where:
Base-Base interactions energy: -1048.503
where: short stacking energy: -455.738
Base-Backbone interact. energy: -2.350
local terms energy: -515.280373
where:
bonds (distance) C4'-P energy: -98.517
bonds (distance) P-C4' energy: -113.480
flat angles C4'-P-C4' energy: -110.237
flat angles P-C4'-P energy: -69.572
tors. eta vs tors. theta energy: -123.475
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: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1502.082913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.082913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.082913 (E_RNA)
where:
Base-Base interactions energy: -982.914
where: short stacking energy: -430.857
Base-Backbone interact. energy: -1.786
local terms energy: -517.382537
where:
bonds (distance) C4'-P energy: -88.014
bonds (distance) P-C4' energy: -103.272
flat angles C4'-P-C4' energy: -127.419
flat angles P-C4'-P energy: -70.581
tors. eta vs tors. theta energy: -128.097
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: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1445.919602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.919602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.919602 (E_RNA)
where:
Base-Base interactions energy: -933.227
where: short stacking energy: -398.164
Base-Backbone interact. energy: -3.156
local terms energy: -509.536425
where:
bonds (distance) C4'-P energy: -105.020
bonds (distance) P-C4' energy: -100.814
flat angles C4'-P-C4' energy: -116.408
flat angles P-C4'-P energy: -78.110
tors. eta vs tors. theta energy: -109.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1319.710782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.710782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.710782 (E_RNA)
where:
Base-Base interactions energy: -867.794
where: short stacking energy: -380.192
Base-Backbone interact. energy: -1.216
local terms energy: -450.700984
where:
bonds (distance) C4'-P energy: -94.543
bonds (distance) P-C4' energy: -108.253
flat angles C4'-P-C4' energy: -102.563
flat angles P-C4'-P energy: -64.522
tors. eta vs tors. theta energy: -80.821
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: 77
Temperature: 1.200000
Total energy: -1224.679156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.679156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.679156 (E_RNA)
where:
Base-Base interactions energy: -776.070
where: short stacking energy: -341.011
Base-Backbone interact. energy: -1.990
local terms energy: -446.618959
where:
bonds (distance) C4'-P energy: -98.027
bonds (distance) P-C4' energy: -106.124
flat angles C4'-P-C4' energy: -106.544
flat angles P-C4'-P energy: -55.788
tors. eta vs tors. theta energy: -80.137
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: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1159.962812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.962812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.962812 (E_RNA)
where:
Base-Base interactions energy: -758.511
where: short stacking energy: -345.889
Base-Backbone interact. energy: -0.926
local terms energy: -400.525686
where:
bonds (distance) C4'-P energy: -89.161
bonds (distance) P-C4' energy: -99.179
flat angles C4'-P-C4' energy: -99.050
flat angles P-C4'-P energy: -42.900
tors. eta vs tors. theta energy: -70.235
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: 3
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -946.819097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.819097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.819097 (E_RNA)
where:
Base-Base interactions energy: -577.021
where: short stacking energy: -258.642
Base-Backbone interact. energy: 1.430
local terms energy: -371.228069
where:
bonds (distance) C4'-P energy: -95.749
bonds (distance) P-C4' energy: -104.600
flat angles C4'-P-C4' energy: -83.069
flat angles P-C4'-P energy: -48.276
tors. eta vs tors. theta energy: -39.535
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: 77
Temperature: 1.350000
Total energy: -527.431063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.431063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.431063 (E_RNA)
where:
Base-Base interactions energy: -259.697
where: short stacking energy: -140.394
Base-Backbone interact. energy: -2.253
local terms energy: -265.481399
where:
bonds (distance) C4'-P energy: -73.562
bonds (distance) P-C4' energy: -98.686
flat angles C4'-P-C4' energy: -70.150
flat angles P-C4'-P energy: -37.155
tors. eta vs tors. theta energy: 14.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1802.528852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.528852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.528852 (E_RNA)
where:
Base-Base interactions energy: -1237.826
where: short stacking energy: -530.594
Base-Backbone interact. energy: -1.437
local terms energy: -563.266058
where:
bonds (distance) C4'-P energy: -95.144
bonds (distance) P-C4' energy: -107.379
flat angles C4'-P-C4' energy: -123.560
flat angles P-C4'-P energy: -79.504
tors. eta vs tors. theta energy: -157.679
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: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1623.264131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.264131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.264131 (E_RNA)
where:
Base-Base interactions energy: -1063.905
where: short stacking energy: -484.192
Base-Backbone interact. energy: -1.972
local terms energy: -557.387121
where:
bonds (distance) C4'-P energy: -114.820
bonds (distance) P-C4' energy: -108.350
flat angles C4'-P-C4' energy: -117.641
flat angles P-C4'-P energy: -81.681
tors. eta vs tors. theta energy: -134.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1603.752750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.752750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.752750 (E_RNA)
where:
Base-Base interactions energy: -1081.969
where: short stacking energy: -482.411
Base-Backbone interact. energy: 0.276
local terms energy: -522.060295
where:
bonds (distance) C4'-P energy: -109.123
bonds (distance) P-C4' energy: -95.573
flat angles C4'-P-C4' energy: -111.517
flat angles P-C4'-P energy: -74.741
tors. eta vs tors. theta energy: -131.106
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: 4, replica: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1516.639542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.639542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.639542 (E_RNA)
where:
Base-Base interactions energy: -1011.893
where: short stacking energy: -454.820
Base-Backbone interact. energy: -3.007
local terms energy: -501.739870
where:
bonds (distance) C4'-P energy: -92.928
bonds (distance) P-C4' energy: -91.020
flat angles C4'-P-C4' energy: -118.227
flat angles P-C4'-P energy: -76.777
tors. eta vs tors. theta energy: -122.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1440.979857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.979857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.979857 (E_RNA)
where:
Base-Base interactions energy: -973.076
where: short stacking energy: -425.333
Base-Backbone interact. energy: 2.261
local terms energy: -470.164339
where:
bonds (distance) C4'-P energy: -83.018
bonds (distance) P-C4' energy: -106.879
flat angles C4'-P-C4' energy: -104.442
flat angles P-C4'-P energy: -58.329
tors. eta vs tors. theta energy: -117.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1330.159018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.159018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.159018 (E_RNA)
where:
Base-Base interactions energy: -884.770
where: short stacking energy: -383.416
Base-Backbone interact. energy: 0.923
local terms energy: -446.311783
where:
bonds (distance) C4'-P energy: -92.739
bonds (distance) P-C4' energy: -100.144
flat angles C4'-P-C4' energy: -104.092
flat angles P-C4'-P energy: -63.754
tors. eta vs tors. theta energy: -85.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1202.945427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.945427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.945427 (E_RNA)
where:
Base-Base interactions energy: -804.926
where: short stacking energy: -344.406
Base-Backbone interact. energy: -1.121
local terms energy: -396.898309
where:
bonds (distance) C4'-P energy: -92.026
bonds (distance) P-C4' energy: -95.864
flat angles C4'-P-C4' energy: -75.497
flat angles P-C4'-P energy: -64.032
tors. eta vs tors. theta energy: -69.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1197.491470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.491470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.491470 (E_RNA)
where:
Base-Base interactions energy: -777.082
where: short stacking energy: -343.547
Base-Backbone interact. energy: -1.183
local terms energy: -419.226381
where:
bonds (distance) C4'-P energy: -93.021
bonds (distance) P-C4' energy: -96.183
flat angles C4'-P-C4' energy: -85.351
flat angles P-C4'-P energy: -70.900
tors. eta vs tors. theta energy: -73.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -934.343319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.343319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.343319 (E_RNA)
where:
Base-Base interactions energy: -561.417
where: short stacking energy: -262.026
Base-Backbone interact. energy: -2.283
local terms energy: -370.643676
where:
bonds (distance) C4'-P energy: -77.240
bonds (distance) P-C4' energy: -93.269
flat angles C4'-P-C4' energy: -103.571
flat angles P-C4'-P energy: -50.258
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: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -532.911346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.911346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.911346 (E_RNA)
where:
Base-Base interactions energy: -242.099
where: short stacking energy: -144.736
Base-Backbone interact. energy: -1.171
local terms energy: -289.641225
where:
bonds (distance) C4'-P energy: -87.779
bonds (distance) P-C4' energy: -95.463
flat angles C4'-P-C4' energy: -80.939
flat angles P-C4'-P energy: -34.095
tors. eta vs tors. theta energy: 8.636
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: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1819.693887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.693887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.693887 (E_RNA)
where:
Base-Base interactions energy: -1253.595
where: short stacking energy: -515.347
Base-Backbone interact. energy: -7.016
local terms energy: -559.083082
where:
bonds (distance) C4'-P energy: -92.571
bonds (distance) P-C4' energy: -105.827
flat angles C4'-P-C4' energy: -119.210
flat angles P-C4'-P energy: -93.888
tors. eta vs tors. theta energy: -147.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1689.189442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.189442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.189442 (E_RNA)
where:
Base-Base interactions energy: -1137.066
where: short stacking energy: -518.105
Base-Backbone interact. energy: -2.038
local terms energy: -550.085372
where:
bonds (distance) C4'-P energy: -99.554
bonds (distance) P-C4' energy: -105.043
flat angles C4'-P-C4' energy: -124.165
flat angles P-C4'-P energy: -79.139
tors. eta vs tors. theta energy: -142.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1573.547798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.547798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.547798 (E_RNA)
where:
Base-Base interactions energy: -1054.937
where: short stacking energy: -484.801
Base-Backbone interact. energy: -1.970
local terms energy: -516.640771
where:
bonds (distance) C4'-P energy: -96.383
bonds (distance) P-C4' energy: -102.701
flat angles C4'-P-C4' energy: -111.541
flat angles P-C4'-P energy: -71.633
tors. eta vs tors. theta energy: -134.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1490.542820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.542820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.542820 (E_RNA)
where:
Base-Base interactions energy: -1010.953
where: short stacking energy: -448.439
Base-Backbone interact. energy: -2.460
local terms energy: -477.130534
where:
bonds (distance) C4'-P energy: -82.958
bonds (distance) P-C4' energy: -97.478
flat angles C4'-P-C4' energy: -98.190
flat angles P-C4'-P energy: -66.777
tors. eta vs tors. theta energy: -131.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1436.491634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.491634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.491634 (E_RNA)
where:
Base-Base interactions energy: -956.608
where: short stacking energy: -422.052
Base-Backbone interact. energy: -1.372
local terms energy: -478.511022
where:
bonds (distance) C4'-P energy: -112.883
bonds (distance) P-C4' energy: -81.139
flat angles C4'-P-C4' energy: -114.748
flat angles P-C4'-P energy: -62.078
tors. eta vs tors. theta energy: -107.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1266.303073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.303073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.303073 (E_RNA)
where:
Base-Base interactions energy: -828.342
where: short stacking energy: -356.140
Base-Backbone interact. energy: -2.001
local terms energy: -435.959866
where:
bonds (distance) C4'-P energy: -100.148
bonds (distance) P-C4' energy: -105.483
flat angles C4'-P-C4' energy: -102.743
flat angles P-C4'-P energy: -51.904
tors. eta vs tors. theta energy: -75.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1242.994763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.994763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.994763 (E_RNA)
where:
Base-Base interactions energy: -833.395
where: short stacking energy: -371.152
Base-Backbone interact. energy: -0.898
local terms energy: -408.702444
where:
bonds (distance) C4'-P energy: -85.037
bonds (distance) P-C4' energy: -84.596
flat angles C4'-P-C4' energy: -91.730
flat angles P-C4'-P energy: -55.725
tors. eta vs tors. theta energy: -91.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1171.255083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.255083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.255083 (E_RNA)
where:
Base-Base interactions energy: -768.870
where: short stacking energy: -332.735
Base-Backbone interact. energy: -2.314
local terms energy: -400.070854
where:
bonds (distance) C4'-P energy: -88.239
bonds (distance) P-C4' energy: -78.503
flat angles C4'-P-C4' energy: -86.558
flat angles P-C4'-P energy: -63.755
tors. eta vs tors. theta energy: -83.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -895.931719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.931719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.931719 (E_RNA)
where:
Base-Base interactions energy: -573.173
where: short stacking energy: -265.416
Base-Backbone interact. energy: 3.971
local terms energy: -326.729497
where:
bonds (distance) C4'-P energy: -85.038
bonds (distance) P-C4' energy: -102.278
flat angles C4'-P-C4' energy: -74.950
flat angles P-C4'-P energy: -34.675
tors. eta vs tors. theta energy: -29.789
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: 79
Temperature: 1.350000
Total energy: -508.635050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.635050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.635050 (E_RNA)
where:
Base-Base interactions energy: -225.608
where: short stacking energy: -162.951
Base-Backbone interact. energy: 7.459
local terms energy: -290.486720
where:
bonds (distance) C4'-P energy: -91.624
bonds (distance) P-C4' energy: -87.150
flat angles C4'-P-C4' energy: -66.758
flat angles P-C4'-P energy: -65.269
tors. eta vs tors. theta energy: 20.314
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: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1821.332627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.332627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.332627 (E_RNA)
where:
Base-Base interactions energy: -1248.659
where: short stacking energy: -527.324
Base-Backbone interact. energy: -7.405
local terms energy: -565.268245
where:
bonds (distance) C4'-P energy: -99.383
bonds (distance) P-C4' energy: -106.752
flat angles C4'-P-C4' energy: -135.548
flat angles P-C4'-P energy: -68.959
tors. eta vs tors. theta energy: -154.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1677.385753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.385753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.385753 (E_RNA)
where:
Base-Base interactions energy: -1123.087
where: short stacking energy: -494.805
Base-Backbone interact. energy: -1.547
local terms energy: -552.752111
where:
bonds (distance) C4'-P energy: -112.717
bonds (distance) P-C4' energy: -109.794
flat angles C4'-P-C4' energy: -122.467
flat angles P-C4'-P energy: -76.607
tors. eta vs tors. theta energy: -131.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1567.034396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.034396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.034396 (E_RNA)
where:
Base-Base interactions energy: -1044.627
where: short stacking energy: -478.982
Base-Backbone interact. energy: -2.450
local terms energy: -519.957013
where:
bonds (distance) C4'-P energy: -92.981
bonds (distance) P-C4' energy: -103.779
flat angles C4'-P-C4' energy: -120.339
flat angles P-C4'-P energy: -69.581
tors. eta vs tors. theta energy: -133.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1528.101757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.101757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.101757 (E_RNA)
where:
Base-Base interactions energy: -998.938
where: short stacking energy: -464.533
Base-Backbone interact. energy: -2.127
local terms energy: -527.036844
where:
bonds (distance) C4'-P energy: -105.162
bonds (distance) P-C4' energy: -99.515
flat angles C4'-P-C4' energy: -114.112
flat angles P-C4'-P energy: -80.888
tors. eta vs tors. theta energy: -127.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1456.548048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.548048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.548048 (E_RNA)
where:
Base-Base interactions energy: -981.881
where: short stacking energy: -459.805
Base-Backbone interact. energy: -0.204
local terms energy: -474.462756
where:
bonds (distance) C4'-P energy: -81.666
bonds (distance) P-C4' energy: -94.782
flat angles C4'-P-C4' energy: -111.906
flat angles P-C4'-P energy: -62.906
tors. eta vs tors. theta energy: -123.201
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: 6, replica: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1304.897170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.897170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.897170 (E_RNA)
where:
Base-Base interactions energy: -879.060
where: short stacking energy: -390.179
Base-Backbone interact. energy: -1.426
local terms energy: -424.410466
where:
bonds (distance) C4'-P energy: -92.306
bonds (distance) P-C4' energy: -94.896
flat angles C4'-P-C4' energy: -103.582
flat angles P-C4'-P energy: -54.970
tors. eta vs tors. theta energy: -78.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1212.160237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.160237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.160237 (E_RNA)
where:
Base-Base interactions energy: -795.153
where: short stacking energy: -351.683
Base-Backbone interact. energy: 0.742
local terms energy: -417.748953
where:
bonds (distance) C4'-P energy: -81.022
bonds (distance) P-C4' energy: -93.696
flat angles C4'-P-C4' energy: -92.472
flat angles P-C4'-P energy: -64.775
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: 8, replica: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1178.794336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.794336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.794336 (E_RNA)
where:
Base-Base interactions energy: -773.654
where: short stacking energy: -312.883
Base-Backbone interact. energy: -2.707
local terms energy: -402.432735
where:
bonds (distance) C4'-P energy: -89.350
bonds (distance) P-C4' energy: -108.584
flat angles C4'-P-C4' energy: -85.379
flat angles P-C4'-P energy: -58.498
tors. eta vs tors. theta energy: -60.622
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: 9, replica: 3
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -910.600558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.600558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.600558 (E_RNA)
where:
Base-Base interactions energy: -561.353
where: short stacking energy: -265.195
Base-Backbone interact. energy: -1.267
local terms energy: -347.980018
where:
bonds (distance) C4'-P energy: -74.133
bonds (distance) P-C4' energy: -88.127
flat angles C4'-P-C4' energy: -81.924
flat angles P-C4'-P energy: -56.558
tors. eta vs tors. theta energy: -47.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -503.823469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.823469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.823469 (E_RNA)
where:
Base-Base interactions energy: -202.313
where: short stacking energy: -121.110
Base-Backbone interact. energy: -2.313
local terms energy: -299.196951
where:
bonds (distance) C4'-P energy: -91.872
bonds (distance) P-C4' energy: -82.637
flat angles C4'-P-C4' energy: -84.969
flat angles P-C4'-P energy: -63.103
tors. eta vs tors. theta energy: 23.385
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: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1832.481514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.481514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.481514 (E_RNA)
where:
Base-Base interactions energy: -1243.720
where: short stacking energy: -543.334
Base-Backbone interact. energy: -3.425
local terms energy: -585.336582
where:
bonds (distance) C4'-P energy: -112.638
bonds (distance) P-C4' energy: -105.862
flat angles C4'-P-C4' energy: -123.153
flat angles P-C4'-P energy: -85.793
tors. eta vs tors. theta energy: -157.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1672.128463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.128463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.128463 (E_RNA)
where:
Base-Base interactions energy: -1147.579
where: short stacking energy: -501.590
Base-Backbone interact. energy: -2.371
local terms energy: -522.178811
where:
bonds (distance) C4'-P energy: -86.779
bonds (distance) P-C4' energy: -103.025
flat angles C4'-P-C4' energy: -110.885
flat angles P-C4'-P energy: -84.160
tors. eta vs tors. theta energy: -137.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1584.966838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.966838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.966838 (E_RNA)
where:
Base-Base interactions energy: -1084.532
where: short stacking energy: -497.949
Base-Backbone interact. energy: -2.344
local terms energy: -498.091174
where:
bonds (distance) C4'-P energy: -89.648
bonds (distance) P-C4' energy: -100.827
flat angles C4'-P-C4' energy: -103.519
flat angles P-C4'-P energy: -68.819
tors. eta vs tors. theta energy: -135.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1497.044238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.044238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.044238 (E_RNA)
where:
Base-Base interactions energy: -989.964
where: short stacking energy: -425.568
Base-Backbone interact. energy: 1.084
local terms energy: -508.163747
where:
bonds (distance) C4'-P energy: -109.188
bonds (distance) P-C4' energy: -105.977
flat angles C4'-P-C4' energy: -109.807
flat angles P-C4'-P energy: -62.309
tors. eta vs tors. theta energy: -120.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1495.600532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.600532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.600532 (E_RNA)
where:
Base-Base interactions energy: -995.636
where: short stacking energy: -451.622
Base-Backbone interact. energy: -1.105
local terms energy: -498.859290
where:
bonds (distance) C4'-P energy: -101.594
bonds (distance) P-C4' energy: -101.902
flat angles C4'-P-C4' energy: -105.132
flat angles P-C4'-P energy: -76.360
tors. eta vs tors. theta energy: -113.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1341.733971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.733971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.733971 (E_RNA)
where:
Base-Base interactions energy: -877.350
where: short stacking energy: -389.280
Base-Backbone interact. energy: -1.187
local terms energy: -463.196686
where:
bonds (distance) C4'-P energy: -107.936
bonds (distance) P-C4' energy: -91.304
flat angles C4'-P-C4' energy: -98.288
flat angles P-C4'-P energy: -58.456
tors. eta vs tors. theta energy: -107.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1219.128895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.128895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.128895 (E_RNA)
where:
Base-Base interactions energy: -798.456
where: short stacking energy: -355.546
Base-Backbone interact. energy: -0.855
local terms energy: -419.817506
where:
bonds (distance) C4'-P energy: -92.865
bonds (distance) P-C4' energy: -108.647
flat angles C4'-P-C4' energy: -86.509
flat angles P-C4'-P energy: -56.931
tors. eta vs tors. theta energy: -74.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1219.278750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.278750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.278750 (E_RNA)
where:
Base-Base interactions energy: -794.735
where: short stacking energy: -360.657
Base-Backbone interact. energy: -1.734
local terms energy: -422.809970
where:
bonds (distance) C4'-P energy: -79.326
bonds (distance) P-C4' energy: -100.571
flat angles C4'-P-C4' energy: -91.604
flat angles P-C4'-P energy: -69.177
tors. eta vs tors. theta energy: -82.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -871.981733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.981733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.981733 (E_RNA)
where:
Base-Base interactions energy: -533.715
where: short stacking energy: -256.092
Base-Backbone interact. energy: -1.451
local terms energy: -336.815175
where:
bonds (distance) C4'-P energy: -82.706
bonds (distance) P-C4' energy: -84.313
flat angles C4'-P-C4' energy: -79.122
flat angles P-C4'-P energy: -55.319
tors. eta vs tors. theta energy: -35.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -514.819727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.819727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.819727 (E_RNA)
where:
Base-Base interactions energy: -218.690
where: short stacking energy: -132.642
Base-Backbone interact. energy: -1.140
local terms energy: -294.990366
where:
bonds (distance) C4'-P energy: -98.536
bonds (distance) P-C4' energy: -80.693
flat angles C4'-P-C4' energy: -70.498
flat angles P-C4'-P energy: -55.555
tors. eta vs tors. theta energy: 10.293
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: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1815.034013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.034013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.034013 (E_RNA)
where:
Base-Base interactions energy: -1240.271
where: short stacking energy: -509.218
Base-Backbone interact. energy: -3.332
local terms energy: -571.430810
where:
bonds (distance) C4'-P energy: -122.288
bonds (distance) P-C4' energy: -100.760
flat angles C4'-P-C4' energy: -117.666
flat angles P-C4'-P energy: -82.684
tors. eta vs tors. theta energy: -148.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1670.890747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.890747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.890747 (E_RNA)
where:
Base-Base interactions energy: -1113.112
where: short stacking energy: -487.843
Base-Backbone interact. energy: -4.083
local terms energy: -553.695207
where:
bonds (distance) C4'-P energy: -103.631
bonds (distance) P-C4' energy: -110.485
flat angles C4'-P-C4' energy: -119.134
flat angles P-C4'-P energy: -75.499
tors. eta vs tors. theta energy: -144.946
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: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1589.975835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.975835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.975835 (E_RNA)
where:
Base-Base interactions energy: -1069.926
where: short stacking energy: -487.956
Base-Backbone interact. energy: -0.095
local terms energy: -519.955214
where:
bonds (distance) C4'-P energy: -84.111
bonds (distance) P-C4' energy: -109.922
flat angles C4'-P-C4' energy: -114.402
flat angles P-C4'-P energy: -69.709
tors. eta vs tors. theta energy: -141.812
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: 8
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1512.562875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.562875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.562875 (E_RNA)
where:
Base-Base interactions energy: -1011.610
where: short stacking energy: -459.536
Base-Backbone interact. energy: -2.063
local terms energy: -498.890360
where:
bonds (distance) C4'-P energy: -99.648
bonds (distance) P-C4' energy: -94.656
flat angles C4'-P-C4' energy: -105.681
flat angles P-C4'-P energy: -77.773
tors. eta vs tors. theta energy: -121.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1471.694479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.694479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.694479 (E_RNA)
where:
Base-Base interactions energy: -1012.478
where: short stacking energy: -445.203
Base-Backbone interact. energy: -2.102
local terms energy: -457.114640
where:
bonds (distance) C4'-P energy: -90.959
bonds (distance) P-C4' energy: -97.497
flat angles C4'-P-C4' energy: -103.174
flat angles P-C4'-P energy: -54.710
tors. eta vs tors. theta energy: -110.775
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: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1346.054327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.054327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.054327 (E_RNA)
where:
Base-Base interactions energy: -864.566
where: short stacking energy: -390.530
Base-Backbone interact. energy: 0.313
local terms energy: -481.801293
where:
bonds (distance) C4'-P energy: -86.809
bonds (distance) P-C4' energy: -101.595
flat angles C4'-P-C4' energy: -112.079
flat angles P-C4'-P energy: -70.118
tors. eta vs tors. theta energy: -111.200
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: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1228.585864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.585864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.585864 (E_RNA)
where:
Base-Base interactions energy: -781.990
where: short stacking energy: -329.930
Base-Backbone interact. energy: -2.081
local terms energy: -444.514536
where:
bonds (distance) C4'-P energy: -106.864
bonds (distance) P-C4' energy: -101.691
flat angles C4'-P-C4' energy: -96.977
flat angles P-C4'-P energy: -66.767
tors. eta vs tors. theta energy: -72.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1203.337958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.337958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.337958 (E_RNA)
where:
Base-Base interactions energy: -786.171
where: short stacking energy: -324.805
Base-Backbone interact. energy: 0.651
local terms energy: -417.818688
where:
bonds (distance) C4'-P energy: -95.365
bonds (distance) P-C4' energy: -92.858
flat angles C4'-P-C4' energy: -93.540
flat angles P-C4'-P energy: -70.175
tors. eta vs tors. theta energy: -65.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -914.193816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.193816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.193816 (E_RNA)
where:
Base-Base interactions energy: -559.312
where: short stacking energy: -235.085
Base-Backbone interact. energy: 1.245
local terms energy: -356.126779
where:
bonds (distance) C4'-P energy: -94.288
bonds (distance) P-C4' energy: -82.375
flat angles C4'-P-C4' energy: -85.549
flat angles P-C4'-P energy: -52.739
tors. eta vs tors. theta energy: -41.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -539.838682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.838682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.838682 (E_RNA)
where:
Base-Base interactions energy: -244.749
where: short stacking energy: -174.800
Base-Backbone interact. energy: 5.773
local terms energy: -300.862997
where:
bonds (distance) C4'-P energy: -90.582
bonds (distance) P-C4' energy: -84.802
flat angles C4'-P-C4' energy: -68.321
flat angles P-C4'-P energy: -53.557
tors. eta vs tors. theta energy: -3.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1817.166866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.166866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.166866 (E_RNA)
where:
Base-Base interactions energy: -1287.197
where: short stacking energy: -546.346
Base-Backbone interact. energy: -4.573
local terms energy: -525.396609
where:
bonds (distance) C4'-P energy: -93.723
bonds (distance) P-C4' energy: -77.369
flat angles C4'-P-C4' energy: -122.872
flat angles P-C4'-P energy: -68.961
tors. eta vs tors. theta energy: -162.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1647.736396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.736396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.736396 (E_RNA)
where:
Base-Base interactions energy: -1116.248
where: short stacking energy: -474.644
Base-Backbone interact. energy: -2.382
local terms energy: -529.106815
where:
bonds (distance) C4'-P energy: -99.196
bonds (distance) P-C4' energy: -103.562
flat angles C4'-P-C4' energy: -114.715
flat angles P-C4'-P energy: -84.850
tors. eta vs tors. theta energy: -126.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1608.901282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.901282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.901282 (E_RNA)
where:
Base-Base interactions energy: -1057.400
where: short stacking energy: -480.452
Base-Backbone interact. energy: 0.950
local terms energy: -552.451090
where:
bonds (distance) C4'-P energy: -111.181
bonds (distance) P-C4' energy: -106.662
flat angles C4'-P-C4' energy: -118.277
flat angles P-C4'-P energy: -73.719
tors. eta vs tors. theta energy: -142.612
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: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1545.801261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.801261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.801261 (E_RNA)
where:
Base-Base interactions energy: -1000.114
where: short stacking energy: -449.410
Base-Backbone interact. energy: -0.883
local terms energy: -544.804818
where:
bonds (distance) C4'-P energy: -100.727
bonds (distance) P-C4' energy: -109.018
flat angles C4'-P-C4' energy: -118.505
flat angles P-C4'-P energy: -81.339
tors. eta vs tors. theta energy: -135.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1428.054693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.054693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.054693 (E_RNA)
where:
Base-Base interactions energy: -950.964
where: short stacking energy: -392.525
Base-Backbone interact. energy: -3.576
local terms energy: -473.514829
where:
bonds (distance) C4'-P energy: -91.270
bonds (distance) P-C4' energy: -97.313
flat angles C4'-P-C4' energy: -122.941
flat angles P-C4'-P energy: -63.717
tors. eta vs tors. theta energy: -98.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1324.421256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.421256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.421256 (E_RNA)
where:
Base-Base interactions energy: -864.279
where: short stacking energy: -384.579
Base-Backbone interact. energy: 0.104
local terms energy: -460.245898
where:
bonds (distance) C4'-P energy: -71.106
bonds (distance) P-C4' energy: -106.942
flat angles C4'-P-C4' energy: -119.416
flat angles P-C4'-P energy: -64.474
tors. eta vs tors. theta energy: -98.308
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: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1232.433843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.433843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.433843 (E_RNA)
where:
Base-Base interactions energy: -802.355
where: short stacking energy: -341.775
Base-Backbone interact. energy: -1.568
local terms energy: -428.511028
where:
bonds (distance) C4'-P energy: -82.316
bonds (distance) P-C4' energy: -100.929
flat angles C4'-P-C4' energy: -111.128
flat angles P-C4'-P energy: -54.618
tors. eta vs tors. theta energy: -79.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1222.007528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.007528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.007528 (E_RNA)
where:
Base-Base interactions energy: -781.186
where: short stacking energy: -342.901
Base-Backbone interact. energy: -2.243
local terms energy: -438.578522
where:
bonds (distance) C4'-P energy: -93.696
bonds (distance) P-C4' energy: -84.305
flat angles C4'-P-C4' energy: -93.955
flat angles P-C4'-P energy: -77.399
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: 9, replica: 3
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -914.719698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.719698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.719698 (E_RNA)
where:
Base-Base interactions energy: -559.224
where: short stacking energy: -256.869
Base-Backbone interact. energy: -1.062
local terms energy: -354.433998
where:
bonds (distance) C4'-P energy: -92.210
bonds (distance) P-C4' energy: -91.201
flat angles C4'-P-C4' energy: -90.987
flat angles P-C4'-P energy: -41.251
tors. eta vs tors. theta energy: -38.786
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: 83
Temperature: 1.350000
Total energy: -503.683213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.683213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.683213 (E_RNA)
where:
Base-Base interactions energy: -211.474
where: short stacking energy: -134.696
Base-Backbone interact. energy: -1.076
local terms energy: -291.132587
where:
bonds (distance) C4'-P energy: -84.972
bonds (distance) P-C4' energy: -99.294
flat angles C4'-P-C4' energy: -79.311
flat angles P-C4'-P energy: -42.330
tors. eta vs tors. theta energy: 14.775
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: 4
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1841.495747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.495747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.495747 (E_RNA)
where:
Base-Base interactions energy: -1270.564
where: short stacking energy: -558.350
Base-Backbone interact. energy: -3.602
local terms energy: -567.329700
where:
bonds (distance) C4'-P energy: -99.725
bonds (distance) P-C4' energy: -97.812
flat angles C4'-P-C4' energy: -113.802
flat angles P-C4'-P energy: -88.014
tors. eta vs tors. theta energy: -167.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1646.790955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.790955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.790955 (E_RNA)
where:
Base-Base interactions energy: -1104.981
where: short stacking energy: -479.243
Base-Backbone interact. energy: -3.310
local terms energy: -538.499392
where:
bonds (distance) C4'-P energy: -106.862
bonds (distance) P-C4' energy: -106.322
flat angles C4'-P-C4' energy: -112.657
flat angles P-C4'-P energy: -77.679
tors. eta vs tors. theta energy: -134.979
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: 7
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1598.769984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.769984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.769984 (E_RNA)
where:
Base-Base interactions energy: -1045.800
where: short stacking energy: -481.194
Base-Backbone interact. energy: -4.172
local terms energy: -548.797965
where:
bonds (distance) C4'-P energy: -104.314
bonds (distance) P-C4' energy: -105.777
flat angles C4'-P-C4' energy: -124.613
flat angles P-C4'-P energy: -78.241
tors. eta vs tors. theta energy: -135.852
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: 84
Temperature: 1.050000
Total energy: -1559.608654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.608654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.608654 (E_RNA)
where:
Base-Base interactions energy: -1051.945
where: short stacking energy: -442.588
Base-Backbone interact. energy: 2.664
local terms energy: -510.326815
where:
bonds (distance) C4'-P energy: -102.102
bonds (distance) P-C4' energy: -104.382
flat angles C4'-P-C4' energy: -111.335
flat angles P-C4'-P energy: -69.672
tors. eta vs tors. theta energy: -122.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1412.509976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.509976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.509976 (E_RNA)
where:
Base-Base interactions energy: -948.895
where: short stacking energy: -450.737
Base-Backbone interact. energy: 0.871
local terms energy: -464.486533
where:
bonds (distance) C4'-P energy: -89.852
bonds (distance) P-C4' energy: -107.557
flat angles C4'-P-C4' energy: -104.161
flat angles P-C4'-P energy: -61.316
tors. eta vs tors. theta energy: -101.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1320.283441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.283441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.283441 (E_RNA)
where:
Base-Base interactions energy: -879.950
where: short stacking energy: -389.432
Base-Backbone interact. energy: -3.609
local terms energy: -436.723810
where:
bonds (distance) C4'-P energy: -76.258
bonds (distance) P-C4' energy: -82.600
flat angles C4'-P-C4' energy: -103.798
flat angles P-C4'-P energy: -66.671
tors. eta vs tors. theta energy: -107.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1260.000035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.000035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.000035 (E_RNA)
where:
Base-Base interactions energy: -819.180
where: short stacking energy: -354.607
Base-Backbone interact. energy: 1.882
local terms energy: -442.702759
where:
bonds (distance) C4'-P energy: -97.893
bonds (distance) P-C4' energy: -109.523
flat angles C4'-P-C4' energy: -88.405
flat angles P-C4'-P energy: -63.624
tors. eta vs tors. theta energy: -83.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1164.433241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.433241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.433241 (E_RNA)
where:
Base-Base interactions energy: -780.514
where: short stacking energy: -340.954
Base-Backbone interact. energy: 6.837
local terms energy: -390.756089
where:
bonds (distance) C4'-P energy: -70.663
bonds (distance) P-C4' energy: -89.246
flat angles C4'-P-C4' energy: -85.667
flat angles P-C4'-P energy: -58.679
tors. eta vs tors. theta energy: -86.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -898.070761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.070761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.070761 (E_RNA)
where:
Base-Base interactions energy: -561.447
where: short stacking energy: -245.150
Base-Backbone interact. energy: -2.371
local terms energy: -334.252990
where:
bonds (distance) C4'-P energy: -88.794
bonds (distance) P-C4' energy: -90.044
flat angles C4'-P-C4' energy: -92.309
flat angles P-C4'-P energy: -41.999
tors. eta vs tors. theta energy: -21.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -514.363734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.363734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.363734 (E_RNA)
where:
Base-Base interactions energy: -233.649
where: short stacking energy: -165.283
Base-Backbone interact. energy: -1.022
local terms energy: -279.693131
where:
bonds (distance) C4'-P energy: -90.116
bonds (distance) P-C4' energy: -83.742
flat angles C4'-P-C4' energy: -78.319
flat angles P-C4'-P energy: -31.153
tors. eta vs tors. theta energy: 3.638
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: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1805.555054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.555054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.555054 (E_RNA)
where:
Base-Base interactions energy: -1239.305
where: short stacking energy: -526.039
Base-Backbone interact. energy: 0.606
local terms energy: -566.856756
where:
bonds (distance) C4'-P energy: -110.129
bonds (distance) P-C4' energy: -98.443
flat angles C4'-P-C4' energy: -126.022
flat angles P-C4'-P energy: -84.229
tors. eta vs tors. theta energy: -148.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1635.982870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.982870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.982870 (E_RNA)
where:
Base-Base interactions energy: -1087.273
where: short stacking energy: -508.941
Base-Backbone interact. energy: -0.665
local terms energy: -548.045439
where:
bonds (distance) C4'-P energy: -105.511
bonds (distance) P-C4' energy: -108.865
flat angles C4'-P-C4' energy: -120.221
flat angles P-C4'-P energy: -73.579
tors. eta vs tors. theta energy: -139.869
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: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1614.588899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.588899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.588899 (E_RNA)
where:
Base-Base interactions energy: -1059.991
where: short stacking energy: -467.190
Base-Backbone interact. energy: -3.536
local terms energy: -551.061724
where:
bonds (distance) C4'-P energy: -104.667
bonds (distance) P-C4' energy: -121.957
flat angles C4'-P-C4' energy: -115.426
flat angles P-C4'-P energy: -74.135
tors. eta vs tors. theta energy: -134.876
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: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1554.353124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.353124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.353124 (E_RNA)
where:
Base-Base interactions energy: -1041.021
where: short stacking energy: -454.051
Base-Backbone interact. energy: -0.507
local terms energy: -512.824754
where:
bonds (distance) C4'-P energy: -97.320
bonds (distance) P-C4' energy: -93.262
flat angles C4'-P-C4' energy: -113.562
flat angles P-C4'-P energy: -79.022
tors. eta vs tors. theta energy: -129.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1417.792787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.792787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.792787 (E_RNA)
where:
Base-Base interactions energy: -929.769
where: short stacking energy: -397.004
Base-Backbone interact. energy: -1.345
local terms energy: -486.678293
where:
bonds (distance) C4'-P energy: -83.343
bonds (distance) P-C4' energy: -104.728
flat angles C4'-P-C4' energy: -113.243
flat angles P-C4'-P energy: -74.845
tors. eta vs tors. theta energy: -110.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1290.650935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.650935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.650935 (E_RNA)
where:
Base-Base interactions energy: -877.829
where: short stacking energy: -368.484
Base-Backbone interact. energy: -1.563
local terms energy: -411.258488
where:
bonds (distance) C4'-P energy: -70.872
bonds (distance) P-C4' energy: -96.120
flat angles C4'-P-C4' energy: -90.628
flat angles P-C4'-P energy: -61.014
tors. eta vs tors. theta energy: -92.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1217.411587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.411587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.411587 (E_RNA)
where:
Base-Base interactions energy: -784.312
where: short stacking energy: -335.311
Base-Backbone interact. energy: -4.032
local terms energy: -429.067021
where:
bonds (distance) C4'-P energy: -90.129
bonds (distance) P-C4' energy: -90.004
flat angles C4'-P-C4' energy: -101.545
flat angles P-C4'-P energy: -60.633
tors. eta vs tors. theta energy: -86.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1184.927088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.927088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.927088 (E_RNA)
where:
Base-Base interactions energy: -746.271
where: short stacking energy: -339.544
Base-Backbone interact. energy: -0.376
local terms energy: -438.279908
where:
bonds (distance) C4'-P energy: -94.266
bonds (distance) P-C4' energy: -97.271
flat angles C4'-P-C4' energy: -107.701
flat angles P-C4'-P energy: -62.394
tors. eta vs tors. theta energy: -76.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -869.149005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.149005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.149005 (E_RNA)
where:
Base-Base interactions energy: -513.458
where: short stacking energy: -224.728
Base-Backbone interact. energy: -1.656
local terms energy: -354.034417
where:
bonds (distance) C4'-P energy: -88.880
bonds (distance) P-C4' energy: -89.024
flat angles C4'-P-C4' energy: -91.011
flat angles P-C4'-P energy: -63.513
tors. eta vs tors. theta energy: -21.606
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: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -533.062386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.062386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.062386 (E_RNA)
where:
Base-Base interactions energy: -234.560
where: short stacking energy: -148.004
Base-Backbone interact. energy: 1.917
local terms energy: -300.419530
where:
bonds (distance) C4'-P energy: -86.676
bonds (distance) P-C4' energy: -100.642
flat angles C4'-P-C4' energy: -78.253
flat angles P-C4'-P energy: -47.537
tors. eta vs tors. theta energy: 12.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1817.556913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.556913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.556913 (E_RNA)
where:
Base-Base interactions energy: -1226.649
where: short stacking energy: -536.094
Base-Backbone interact. energy: -5.545
local terms energy: -585.363119
where:
bonds (distance) C4'-P energy: -109.828
bonds (distance) P-C4' energy: -115.989
flat angles C4'-P-C4' energy: -122.215
flat angles P-C4'-P energy: -78.276
tors. eta vs tors. theta energy: -159.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1682.422287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.422287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.422287 (E_RNA)
where:
Base-Base interactions energy: -1108.076
where: short stacking energy: -531.509
Base-Backbone interact. energy: -2.167
local terms energy: -572.179068
where:
bonds (distance) C4'-P energy: -110.693
bonds (distance) P-C4' energy: -99.007
flat angles C4'-P-C4' energy: -115.444
flat angles P-C4'-P energy: -96.396
tors. eta vs tors. theta energy: -150.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1662.407016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.407016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.407016 (E_RNA)
where:
Base-Base interactions energy: -1108.428
where: short stacking energy: -504.311
Base-Backbone interact. energy: -2.223
local terms energy: -551.756318
where:
bonds (distance) C4'-P energy: -98.083
bonds (distance) P-C4' energy: -119.777
flat angles C4'-P-C4' energy: -117.207
flat angles P-C4'-P energy: -79.982
tors. eta vs tors. theta energy: -136.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1578.115710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.115710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.115710 (E_RNA)
where:
Base-Base interactions energy: -1043.418
where: short stacking energy: -454.756
Base-Backbone interact. energy: -6.879
local terms energy: -527.818389
where:
bonds (distance) C4'-P energy: -102.681
bonds (distance) P-C4' energy: -95.394
flat angles C4'-P-C4' energy: -116.069
flat angles P-C4'-P energy: -87.047
tors. eta vs tors. theta energy: -126.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1395.358162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.358162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.358162 (E_RNA)
where:
Base-Base interactions energy: -944.130
where: short stacking energy: -398.714
Base-Backbone interact. energy: -0.401
local terms energy: -450.827733
where:
bonds (distance) C4'-P energy: -88.407
bonds (distance) P-C4' energy: -106.111
flat angles C4'-P-C4' energy: -105.432
flat angles P-C4'-P energy: -59.042
tors. eta vs tors. theta energy: -91.836
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: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1286.519496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.519496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.519496 (E_RNA)
where:
Base-Base interactions energy: -855.020
where: short stacking energy: -377.182
Base-Backbone interact. energy: -2.503
local terms energy: -428.996119
where:
bonds (distance) C4'-P energy: -91.028
bonds (distance) P-C4' energy: -88.827
flat angles C4'-P-C4' energy: -107.439
flat angles P-C4'-P energy: -57.618
tors. eta vs tors. theta energy: -84.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1208.488239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.488239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.488239 (E_RNA)
where:
Base-Base interactions energy: -772.089
where: short stacking energy: -330.033
Base-Backbone interact. energy: -1.073
local terms energy: -435.326663
where:
bonds (distance) C4'-P energy: -97.177
bonds (distance) P-C4' energy: -90.235
flat angles C4'-P-C4' energy: -106.405
flat angles P-C4'-P energy: -70.436
tors. eta vs tors. theta energy: -71.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1214.019935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.019935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.019935 (E_RNA)
where:
Base-Base interactions energy: -780.019
where: short stacking energy: -333.507
Base-Backbone interact. energy: -2.060
local terms energy: -431.941054
where:
bonds (distance) C4'-P energy: -78.776
bonds (distance) P-C4' energy: -99.667
flat angles C4'-P-C4' energy: -90.401
flat angles P-C4'-P energy: -77.000
tors. eta vs tors. theta energy: -86.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -872.466279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.466279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.466279 (E_RNA)
where:
Base-Base interactions energy: -511.998
where: short stacking energy: -244.896
Base-Backbone interact. energy: 2.599
local terms energy: -363.067287
where:
bonds (distance) C4'-P energy: -84.651
bonds (distance) P-C4' energy: -100.714
flat angles C4'-P-C4' energy: -88.642
flat angles P-C4'-P energy: -50.198
tors. eta vs tors. theta energy: -38.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -504.552563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.552563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.552563 (E_RNA)
where:
Base-Base interactions energy: -232.715
where: short stacking energy: -128.989
Base-Backbone interact. energy: -1.648
local terms energy: -270.189206
where:
bonds (distance) C4'-P energy: -80.872
bonds (distance) P-C4' energy: -111.928
flat angles C4'-P-C4' energy: -59.192
flat angles P-C4'-P energy: -43.157
tors. eta vs tors. theta energy: 24.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1829.688364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.688364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.688364 (E_RNA)
where:
Base-Base interactions energy: -1237.607
where: short stacking energy: -542.608
Base-Backbone interact. energy: -4.385
local terms energy: -587.695997
where:
bonds (distance) C4'-P energy: -110.617
bonds (distance) P-C4' energy: -103.389
flat angles C4'-P-C4' energy: -133.767
flat angles P-C4'-P energy: -91.490
tors. eta vs tors. theta energy: -148.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1642.110700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.110700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.110700 (E_RNA)
where:
Base-Base interactions energy: -1094.011
where: short stacking energy: -510.944
Base-Backbone interact. energy: -2.458
local terms energy: -545.641929
where:
bonds (distance) C4'-P energy: -95.490
bonds (distance) P-C4' energy: -104.627
flat angles C4'-P-C4' energy: -109.797
flat angles P-C4'-P energy: -87.922
tors. eta vs tors. theta energy: -147.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1608.663787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.663787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.663787 (E_RNA)
where:
Base-Base interactions energy: -1080.106
where: short stacking energy: -479.704
Base-Backbone interact. energy: -2.936
local terms energy: -525.621457
where:
bonds (distance) C4'-P energy: -103.485
bonds (distance) P-C4' energy: -104.687
flat angles C4'-P-C4' energy: -118.258
flat angles P-C4'-P energy: -64.079
tors. eta vs tors. theta energy: -135.113
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: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1552.476912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.476912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.476912 (E_RNA)
where:
Base-Base interactions energy: -1046.277
where: short stacking energy: -456.070
Base-Backbone interact. energy: 0.377
local terms energy: -506.576868
where:
bonds (distance) C4'-P energy: -98.336
bonds (distance) P-C4' energy: -103.728
flat angles C4'-P-C4' energy: -122.476
flat angles P-C4'-P energy: -60.381
tors. eta vs tors. theta energy: -121.657
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: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1442.282205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.282205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.282205 (E_RNA)
where:
Base-Base interactions energy: -963.334
where: short stacking energy: -403.795
Base-Backbone interact. energy: -0.058
local terms energy: -478.889490
where:
bonds (distance) C4'-P energy: -85.098
bonds (distance) P-C4' energy: -100.551
flat angles C4'-P-C4' energy: -102.896
flat angles P-C4'-P energy: -80.298
tors. eta vs tors. theta energy: -110.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1316.993024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.993024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.993024 (E_RNA)
where:
Base-Base interactions energy: -839.965
where: short stacking energy: -361.928
Base-Backbone interact. energy: 0.082
local terms energy: -477.109681
where:
bonds (distance) C4'-P energy: -103.251
bonds (distance) P-C4' energy: -101.196
flat angles C4'-P-C4' energy: -114.273
flat angles P-C4'-P energy: -57.204
tors. eta vs tors. theta energy: -101.187
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: 2
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1114.751989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.751989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.751989 (E_RNA)
where:
Base-Base interactions energy: -685.538
where: short stacking energy: -316.890
Base-Backbone interact. energy: 0.155
local terms energy: -429.368801
where:
bonds (distance) C4'-P energy: -94.731
bonds (distance) P-C4' energy: -102.602
flat angles C4'-P-C4' energy: -99.931
flat angles P-C4'-P energy: -51.671
tors. eta vs tors. theta energy: -80.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1165.769632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.769632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.769632 (E_RNA)
where:
Base-Base interactions energy: -754.568
where: short stacking energy: -352.484
Base-Backbone interact. energy: -1.668
local terms energy: -409.533580
where:
bonds (distance) C4'-P energy: -85.360
bonds (distance) P-C4' energy: -94.054
flat angles C4'-P-C4' energy: -92.091
flat angles P-C4'-P energy: -59.445
tors. eta vs tors. theta energy: -78.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -899.653885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.653885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.653885 (E_RNA)
where:
Base-Base interactions energy: -547.521
where: short stacking energy: -261.314
Base-Backbone interact. energy: -0.169
local terms energy: -351.963438
where:
bonds (distance) C4'-P energy: -92.598
bonds (distance) P-C4' energy: -88.964
flat angles C4'-P-C4' energy: -82.565
flat angles P-C4'-P energy: -49.084
tors. eta vs tors. theta energy: -38.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -546.935432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.935432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.935432 (E_RNA)
where:
Base-Base interactions energy: -284.711
where: short stacking energy: -133.782
Base-Backbone interact. energy: -0.251
local terms energy: -261.973533
where:
bonds (distance) C4'-P energy: -83.557
bonds (distance) P-C4' energy: -91.407
flat angles C4'-P-C4' energy: -76.854
flat angles P-C4'-P energy: -27.203
tors. eta vs tors. theta energy: 17.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1845.147736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.147736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.147736 (E_RNA)
where:
Base-Base interactions energy: -1274.773
where: short stacking energy: -549.690
Base-Backbone interact. energy: -3.485
local terms energy: -566.889503
where:
bonds (distance) C4'-P energy: -99.642
bonds (distance) P-C4' energy: -98.692
flat angles C4'-P-C4' energy: -121.262
flat angles P-C4'-P energy: -89.330
tors. eta vs tors. theta energy: -157.964
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: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1679.339402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.339402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.339402 (E_RNA)
where:
Base-Base interactions energy: -1104.754
where: short stacking energy: -531.516
Base-Backbone interact. energy: 1.689
local terms energy: -576.274802
where:
bonds (distance) C4'-P energy: -110.121
bonds (distance) P-C4' energy: -113.692
flat angles C4'-P-C4' energy: -118.146
flat angles P-C4'-P energy: -87.303
tors. eta vs tors. theta energy: -147.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1564.984296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.984296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.984296 (E_RNA)
where:
Base-Base interactions energy: -1062.692
where: short stacking energy: -482.523
Base-Backbone interact. energy: -0.247
local terms energy: -502.045847
where:
bonds (distance) C4'-P energy: -94.565
bonds (distance) P-C4' energy: -84.729
flat angles C4'-P-C4' energy: -112.262
flat angles P-C4'-P energy: -80.733
tors. eta vs tors. theta energy: -129.755
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: 5
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1571.297000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.297000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.297000 (E_RNA)
where:
Base-Base interactions energy: -1047.028
where: short stacking energy: -461.353
Base-Backbone interact. energy: -0.110
local terms energy: -524.159684
where:
bonds (distance) C4'-P energy: -101.668
bonds (distance) P-C4' energy: -108.537
flat angles C4'-P-C4' energy: -117.971
flat angles P-C4'-P energy: -77.299
tors. eta vs tors. theta energy: -118.685
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: 8
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1434.403068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.403068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.403068 (E_RNA)
where:
Base-Base interactions energy: -949.951
where: short stacking energy: -405.313
Base-Backbone interact. energy: -2.727
local terms energy: -481.725090
where:
bonds (distance) C4'-P energy: -97.187
bonds (distance) P-C4' energy: -108.227
flat angles C4'-P-C4' energy: -109.622
flat angles P-C4'-P energy: -72.720
tors. eta vs tors. theta energy: -93.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1298.265864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.265864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.265864 (E_RNA)
where:
Base-Base interactions energy: -856.311
where: short stacking energy: -386.625
Base-Backbone interact. energy: -4.036
local terms energy: -437.919027
where:
bonds (distance) C4'-P energy: -88.860
bonds (distance) P-C4' energy: -97.675
flat angles C4'-P-C4' energy: -102.963
flat angles P-C4'-P energy: -60.282
tors. eta vs tors. theta energy: -88.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1173.370355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.370355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.370355 (E_RNA)
where:
Base-Base interactions energy: -758.140
where: short stacking energy: -342.562
Base-Backbone interact. energy: -3.398
local terms energy: -411.832302
where:
bonds (distance) C4'-P energy: -84.545
bonds (distance) P-C4' energy: -98.543
flat angles C4'-P-C4' energy: -95.934
flat angles P-C4'-P energy: -61.797
tors. eta vs tors. theta energy: -71.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1127.907413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.907413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.907413 (E_RNA)
where:
Base-Base interactions energy: -733.159
where: short stacking energy: -311.787
Base-Backbone interact. energy: -1.058
local terms energy: -393.691224
where:
bonds (distance) C4'-P energy: -82.448
bonds (distance) P-C4' energy: -95.170
flat angles C4'-P-C4' energy: -80.635
flat angles P-C4'-P energy: -64.690
tors. eta vs tors. theta energy: -70.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -863.274225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.274225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.274225 (E_RNA)
where:
Base-Base interactions energy: -547.402
where: short stacking energy: -229.995
Base-Backbone interact. energy: 0.140
local terms energy: -316.012090
where:
bonds (distance) C4'-P energy: -69.557
bonds (distance) P-C4' energy: -93.517
flat angles C4'-P-C4' energy: -77.839
flat angles P-C4'-P energy: -44.484
tors. eta vs tors. theta energy: -30.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -553.344432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.344432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.344432 (E_RNA)
where:
Base-Base interactions energy: -241.880
where: short stacking energy: -151.026
Base-Backbone interact. energy: -0.756
local terms energy: -310.708363
where:
bonds (distance) C4'-P energy: -97.425
bonds (distance) P-C4' energy: -105.794
flat angles C4'-P-C4' energy: -76.722
flat angles P-C4'-P energy: -34.705
tors. eta vs tors. theta energy: 3.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1851.984190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.984190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.984190 (E_RNA)
where:
Base-Base interactions energy: -1266.275
where: short stacking energy: -559.068
Base-Backbone interact. energy: -3.391
local terms energy: -582.317738
where:
bonds (distance) C4'-P energy: -107.992
bonds (distance) P-C4' energy: -114.706
flat angles C4'-P-C4' energy: -118.173
flat angles P-C4'-P energy: -80.240
tors. eta vs tors. theta energy: -161.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1644.293585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.293585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.293585 (E_RNA)
where:
Base-Base interactions energy: -1093.958
where: short stacking energy: -489.493
Base-Backbone interact. energy: -2.393
local terms energy: -547.942077
where:
bonds (distance) C4'-P energy: -103.792
bonds (distance) P-C4' energy: -115.135
flat angles C4'-P-C4' energy: -111.903
flat angles P-C4'-P energy: -79.069
tors. eta vs tors. theta energy: -138.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1624.454085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.454085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.454085 (E_RNA)
where:
Base-Base interactions energy: -1071.116
where: short stacking energy: -474.828
Base-Backbone interact. energy: -3.492
local terms energy: -549.845816
where:
bonds (distance) C4'-P energy: -94.383
bonds (distance) P-C4' energy: -115.012
flat angles C4'-P-C4' energy: -121.880
flat angles P-C4'-P energy: -81.765
tors. eta vs tors. theta energy: -136.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1594.028763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.028763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.028763 (E_RNA)
where:
Base-Base interactions energy: -1076.215
where: short stacking energy: -468.100
Base-Backbone interact. energy: -3.635
local terms energy: -514.178722
where:
bonds (distance) C4'-P energy: -98.390
bonds (distance) P-C4' energy: -101.761
flat angles C4'-P-C4' energy: -104.522
flat angles P-C4'-P energy: -75.538
tors. eta vs tors. theta energy: -133.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1408.486516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.486516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.486516 (E_RNA)
where:
Base-Base interactions energy: -911.026
where: short stacking energy: -417.522
Base-Backbone interact. energy: -1.807
local terms energy: -495.654235
where:
bonds (distance) C4'-P energy: -96.459
bonds (distance) P-C4' energy: -106.860
flat angles C4'-P-C4' energy: -108.564
flat angles P-C4'-P energy: -80.910
tors. eta vs tors. theta energy: -102.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1266.861596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.861596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.861596 (E_RNA)
where:
Base-Base interactions energy: -814.417
where: short stacking energy: -366.067
Base-Backbone interact. energy: -1.754
local terms energy: -450.690382
where:
bonds (distance) C4'-P energy: -96.708
bonds (distance) P-C4' energy: -91.285
flat angles C4'-P-C4' energy: -106.590
flat angles P-C4'-P energy: -65.158
tors. eta vs tors. theta energy: -90.950
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: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1210.970450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.970450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.970450 (E_RNA)
where:
Base-Base interactions energy: -810.152
where: short stacking energy: -362.699
Base-Backbone interact. energy: -2.736
local terms energy: -398.081793
where:
bonds (distance) C4'-P energy: -93.831
bonds (distance) P-C4' energy: -82.744
flat angles C4'-P-C4' energy: -76.842
flat angles P-C4'-P energy: -59.284
tors. eta vs tors. theta energy: -85.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1150.109894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.109894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.109894 (E_RNA)
where:
Base-Base interactions energy: -730.755
where: short stacking energy: -324.092
Base-Backbone interact. energy: 3.129
local terms energy: -422.484160
where:
bonds (distance) C4'-P energy: -92.762
bonds (distance) P-C4' energy: -89.853
flat angles C4'-P-C4' energy: -92.616
flat angles P-C4'-P energy: -72.892
tors. eta vs tors. theta energy: -74.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -879.557586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.557586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.557586 (E_RNA)
where:
Base-Base interactions energy: -557.355
where: short stacking energy: -268.345
Base-Backbone interact. energy: 2.298
local terms energy: -324.499901
where:
bonds (distance) C4'-P energy: -61.605
bonds (distance) P-C4' energy: -85.018
flat angles C4'-P-C4' energy: -76.729
flat angles P-C4'-P energy: -58.711
tors. eta vs tors. theta energy: -42.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -505.942210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.942210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.942210 (E_RNA)
where:
Base-Base interactions energy: -215.412
where: short stacking energy: -131.809
Base-Backbone interact. energy: 1.904
local terms energy: -292.434028
where:
bonds (distance) C4'-P energy: -64.496
bonds (distance) P-C4' energy: -105.880
flat angles C4'-P-C4' energy: -99.794
flat angles P-C4'-P energy: -55.614
tors. eta vs tors. theta energy: 33.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1819.863430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.863430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.863430 (E_RNA)
where:
Base-Base interactions energy: -1224.806
where: short stacking energy: -551.204
Base-Backbone interact. energy: -6.133
local terms energy: -588.924959
where:
bonds (distance) C4'-P energy: -102.224
bonds (distance) P-C4' energy: -112.943
flat angles C4'-P-C4' energy: -122.678
flat angles P-C4'-P energy: -88.498
tors. eta vs tors. theta energy: -162.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1680.582908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.582908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.582908 (E_RNA)
where:
Base-Base interactions energy: -1137.977
where: short stacking energy: -491.191
Base-Backbone interact. energy: 0.474
local terms energy: -543.079657
where:
bonds (distance) C4'-P energy: -101.268
bonds (distance) P-C4' energy: -105.890
flat angles C4'-P-C4' energy: -114.376
flat angles P-C4'-P energy: -83.294
tors. eta vs tors. theta energy: -138.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1653.860057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.860057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.860057 (E_RNA)
where:
Base-Base interactions energy: -1140.540
where: short stacking energy: -500.212
Base-Backbone interact. energy: -1.105
local terms energy: -512.215954
where:
bonds (distance) C4'-P energy: -105.025
bonds (distance) P-C4' energy: -93.210
flat angles C4'-P-C4' energy: -111.665
flat angles P-C4'-P energy: -70.403
tors. eta vs tors. theta energy: -131.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1570.268617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.268617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.268617 (E_RNA)
where:
Base-Base interactions energy: -1029.604
where: short stacking energy: -454.867
Base-Backbone interact. energy: -1.730
local terms energy: -538.934572
where:
bonds (distance) C4'-P energy: -103.087
bonds (distance) P-C4' energy: -113.557
flat angles C4'-P-C4' energy: -118.668
flat angles P-C4'-P energy: -74.858
tors. eta vs tors. theta energy: -128.763
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: 8
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1395.574235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.574235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.574235 (E_RNA)
where:
Base-Base interactions energy: -912.226
where: short stacking energy: -440.140
Base-Backbone interact. energy: 0.803
local terms energy: -484.150584
where:
bonds (distance) C4'-P energy: -89.705
bonds (distance) P-C4' energy: -102.509
flat angles C4'-P-C4' energy: -113.090
flat angles P-C4'-P energy: -72.781
tors. eta vs tors. theta energy: -106.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1298.009681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.009681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.009681 (E_RNA)
where:
Base-Base interactions energy: -853.223
where: short stacking energy: -382.283
Base-Backbone interact. energy: -2.748
local terms energy: -442.037992
where:
bonds (distance) C4'-P energy: -71.720
bonds (distance) P-C4' energy: -88.097
flat angles C4'-P-C4' energy: -103.403
flat angles P-C4'-P energy: -80.529
tors. eta vs tors. theta energy: -98.290
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: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1241.859502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.859502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.859502 (E_RNA)
where:
Base-Base interactions energy: -800.104
where: short stacking energy: -387.953
Base-Backbone interact. energy: 0.329
local terms energy: -442.084643
where:
bonds (distance) C4'-P energy: -92.945
bonds (distance) P-C4' energy: -97.598
flat angles C4'-P-C4' energy: -96.445
flat angles P-C4'-P energy: -65.115
tors. eta vs tors. theta energy: -89.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1123.481056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.481056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.481056 (E_RNA)
where:
Base-Base interactions energy: -752.677
where: short stacking energy: -323.423
Base-Backbone interact. energy: -0.891
local terms energy: -369.912949
where:
bonds (distance) C4'-P energy: -78.670
bonds (distance) P-C4' energy: -89.888
flat angles C4'-P-C4' energy: -84.159
flat angles P-C4'-P energy: -45.510
tors. eta vs tors. theta energy: -71.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -893.371180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.371180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.371180 (E_RNA)
where:
Base-Base interactions energy: -533.433
where: short stacking energy: -264.886
Base-Backbone interact. energy: -3.622
local terms energy: -356.316731
where:
bonds (distance) C4'-P energy: -72.032
bonds (distance) P-C4' energy: -94.932
flat angles C4'-P-C4' energy: -93.974
flat angles P-C4'-P energy: -49.498
tors. eta vs tors. theta energy: -45.880
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: 90
Temperature: 1.350000
Total energy: -510.505888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.505888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.505888 (E_RNA)
where:
Base-Base interactions energy: -210.059
where: short stacking energy: -137.017
Base-Backbone interact. energy: 2.656
local terms energy: -303.102606
where:
bonds (distance) C4'-P energy: -81.740
bonds (distance) P-C4' energy: -95.292
flat angles C4'-P-C4' energy: -77.686
flat angles P-C4'-P energy: -46.815
tors. eta vs tors. theta energy: -1.570
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: 1, replica: 4
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1832.026062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.026062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.026062 (E_RNA)
where:
Base-Base interactions energy: -1245.665
where: short stacking energy: -527.304
Base-Backbone interact. energy: -4.133
local terms energy: -582.228445
where:
bonds (distance) C4'-P energy: -109.238
bonds (distance) P-C4' energy: -110.934
flat angles C4'-P-C4' energy: -115.009
flat angles P-C4'-P energy: -91.193
tors. eta vs tors. theta energy: -155.855
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: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1677.078805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.078805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.078805 (E_RNA)
where:
Base-Base interactions energy: -1122.174
where: short stacking energy: -486.626
Base-Backbone interact. energy: -2.795
local terms energy: -552.109274
where:
bonds (distance) C4'-P energy: -110.782
bonds (distance) P-C4' energy: -116.628
flat angles C4'-P-C4' energy: -114.380
flat angles P-C4'-P energy: -81.450
tors. eta vs tors. theta energy: -128.869
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: 3, replica: 5
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1658.165081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.165081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.165081 (E_RNA)
where:
Base-Base interactions energy: -1151.742
where: short stacking energy: -475.819
Base-Backbone interact. energy: -0.545
local terms energy: -505.877224
where:
bonds (distance) C4'-P energy: -106.917
bonds (distance) P-C4' energy: -95.808
flat angles C4'-P-C4' energy: -102.214
flat angles P-C4'-P energy: -80.345
tors. eta vs tors. theta energy: -120.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1563.222642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.222642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.222642 (E_RNA)
where:
Base-Base interactions energy: -1055.736
where: short stacking energy: -453.462
Base-Backbone interact. energy: -2.762
local terms energy: -504.723925
where:
bonds (distance) C4'-P energy: -102.161
bonds (distance) P-C4' energy: -102.326
flat angles C4'-P-C4' energy: -108.938
flat angles P-C4'-P energy: -72.190
tors. eta vs tors. theta energy: -119.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1384.438186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.438186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.438186 (E_RNA)
where:
Base-Base interactions energy: -915.476
where: short stacking energy: -394.332
Base-Backbone interact. energy: -0.663
local terms energy: -468.299480
where:
bonds (distance) C4'-P energy: -96.880
bonds (distance) P-C4' energy: -107.434
flat angles C4'-P-C4' energy: -97.486
flat angles P-C4'-P energy: -65.645
tors. eta vs tors. theta energy: -100.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1307.431130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.431130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.431130 (E_RNA)
where:
Base-Base interactions energy: -861.868
where: short stacking energy: -389.437
Base-Backbone interact. energy: -1.911
local terms energy: -443.651749
where:
bonds (distance) C4'-P energy: -92.623
bonds (distance) P-C4' energy: -83.272
flat angles C4'-P-C4' energy: -108.624
flat angles P-C4'-P energy: -68.031
tors. eta vs tors. theta energy: -91.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1272.000324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.000324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.000324 (E_RNA)
where:
Base-Base interactions energy: -827.941
where: short stacking energy: -372.556
Base-Backbone interact. energy: 0.923
local terms energy: -444.982218
where:
bonds (distance) C4'-P energy: -111.569
bonds (distance) P-C4' energy: -91.527
flat angles C4'-P-C4' energy: -97.635
flat angles P-C4'-P energy: -63.285
tors. eta vs tors. theta energy: -80.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1178.374885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.374885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.374885 (E_RNA)
where:
Base-Base interactions energy: -777.056
where: short stacking energy: -333.552
Base-Backbone interact. energy: -2.367
local terms energy: -398.952290
where:
bonds (distance) C4'-P energy: -86.664
bonds (distance) P-C4' energy: -79.143
flat angles C4'-P-C4' energy: -89.851
flat angles P-C4'-P energy: -60.359
tors. eta vs tors. theta energy: -82.935
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: 3
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -885.313626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.313626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.313626 (E_RNA)
where:
Base-Base interactions energy: -534.304
where: short stacking energy: -258.780
Base-Backbone interact. energy: 1.619
local terms energy: -352.628160
where:
bonds (distance) C4'-P energy: -72.786
bonds (distance) P-C4' energy: -80.596
flat angles C4'-P-C4' energy: -91.838
flat angles P-C4'-P energy: -68.359
tors. eta vs tors. theta energy: -39.050
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: 91
Temperature: 1.350000
Total energy: -545.708742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.708742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.708742 (E_RNA)
where:
Base-Base interactions energy: -251.691
where: short stacking energy: -170.822
Base-Backbone interact. energy: -2.121
local terms energy: -291.896686
where:
bonds (distance) C4'-P energy: -81.605
bonds (distance) P-C4' energy: -88.070
flat angles C4'-P-C4' energy: -65.128
flat angles P-C4'-P energy: -39.160
tors. eta vs tors. theta energy: -17.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1829.830945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.830945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.830945 (E_RNA)
where:
Base-Base interactions energy: -1231.975
where: short stacking energy: -550.702
Base-Backbone interact. energy: -4.761
local terms energy: -593.094992
where:
bonds (distance) C4'-P energy: -100.357
bonds (distance) P-C4' energy: -122.370
flat angles C4'-P-C4' energy: -125.273
flat angles P-C4'-P energy: -80.969
tors. eta vs tors. theta energy: -164.126
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: 2, replica: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1641.896709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.896709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.896709 (E_RNA)
where:
Base-Base interactions energy: -1090.451
where: short stacking energy: -502.168
Base-Backbone interact. energy: -2.660
local terms energy: -548.786473
where:
bonds (distance) C4'-P energy: -106.770
bonds (distance) P-C4' energy: -112.086
flat angles C4'-P-C4' energy: -115.777
flat angles P-C4'-P energy: -71.356
tors. eta vs tors. theta energy: -142.797
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: 5
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1658.477404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.477404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.477404 (E_RNA)
where:
Base-Base interactions energy: -1112.349
where: short stacking energy: -480.825
Base-Backbone interact. energy: 0.476
local terms energy: -546.603857
where:
bonds (distance) C4'-P energy: -105.981
bonds (distance) P-C4' energy: -112.172
flat angles C4'-P-C4' energy: -114.302
flat angles P-C4'-P energy: -75.524
tors. eta vs tors. theta energy: -138.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1565.071064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.071064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.071064 (E_RNA)
where:
Base-Base interactions energy: -1043.479
where: short stacking energy: -478.476
Base-Backbone interact. energy: -0.908
local terms energy: -520.684479
where:
bonds (distance) C4'-P energy: -110.058
bonds (distance) P-C4' energy: -94.463
flat angles C4'-P-C4' energy: -114.960
flat angles P-C4'-P energy: -66.949
tors. eta vs tors. theta energy: -134.254
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: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1337.734684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.734684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.734684 (E_RNA)
where:
Base-Base interactions energy: -909.211
where: short stacking energy: -432.996
Base-Backbone interact. energy: 8.396
local terms energy: -436.919217
where:
bonds (distance) C4'-P energy: -84.950
bonds (distance) P-C4' energy: -82.372
flat angles C4'-P-C4' energy: -99.602
flat angles P-C4'-P energy: -64.369
tors. eta vs tors. theta energy: -105.627
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: 8
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1332.265896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.265896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.265896 (E_RNA)
where:
Base-Base interactions energy: -906.305
where: short stacking energy: -408.871
Base-Backbone interact. energy: -3.055
local terms energy: -422.905573
where:
bonds (distance) C4'-P energy: -74.702
bonds (distance) P-C4' energy: -94.430
flat angles C4'-P-C4' energy: -88.198
flat angles P-C4'-P energy: -71.290
tors. eta vs tors. theta energy: -94.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1246.286530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.286530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.286530 (E_RNA)
where:
Base-Base interactions energy: -822.229
where: short stacking energy: -360.381
Base-Backbone interact. energy: -0.186
local terms energy: -423.871048
where:
bonds (distance) C4'-P energy: -80.799
bonds (distance) P-C4' energy: -92.191
flat angles C4'-P-C4' energy: -95.596
flat angles P-C4'-P energy: -64.690
tors. eta vs tors. theta energy: -90.595
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: 92
Temperature: 1.250000
Total energy: -1191.467424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.467424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.467424 (E_RNA)
where:
Base-Base interactions energy: -781.438
where: short stacking energy: -307.144
Base-Backbone interact. energy: -1.232
local terms energy: -408.797219
where:
bonds (distance) C4'-P energy: -83.642
bonds (distance) P-C4' energy: -98.645
flat angles C4'-P-C4' energy: -112.814
flat angles P-C4'-P energy: -44.396
tors. eta vs tors. theta energy: -69.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -894.714285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.714285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.714285 (E_RNA)
where:
Base-Base interactions energy: -536.174
where: short stacking energy: -244.621
Base-Backbone interact. energy: -0.499
local terms energy: -358.040898
where:
bonds (distance) C4'-P energy: -86.652
bonds (distance) P-C4' energy: -104.045
flat angles C4'-P-C4' energy: -89.266
flat angles P-C4'-P energy: -50.625
tors. eta vs tors. theta energy: -27.453
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: 92
Temperature: 1.350000
Total energy: -519.263698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.263698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.263698 (E_RNA)
where:
Base-Base interactions energy: -233.193
where: short stacking energy: -162.123
Base-Backbone interact. energy: -0.943
local terms energy: -285.127482
where:
bonds (distance) C4'-P energy: -82.940
bonds (distance) P-C4' energy: -87.672
flat angles C4'-P-C4' energy: -81.808
flat angles P-C4'-P energy: -39.309
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: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1838.750848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.750848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.750848 (E_RNA)
where:
Base-Base interactions energy: -1252.078
where: short stacking energy: -552.308
Base-Backbone interact. energy: -5.720
local terms energy: -580.952957
where:
bonds (distance) C4'-P energy: -106.206
bonds (distance) P-C4' energy: -101.235
flat angles C4'-P-C4' energy: -120.623
flat angles P-C4'-P energy: -82.944
tors. eta vs tors. theta energy: -169.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1660.477036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.477036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.477036 (E_RNA)
where:
Base-Base interactions energy: -1122.340
where: short stacking energy: -492.436
Base-Backbone interact. energy: -4.166
local terms energy: -533.970944
where:
bonds (distance) C4'-P energy: -101.781
bonds (distance) P-C4' energy: -94.253
flat angles C4'-P-C4' energy: -124.445
flat angles P-C4'-P energy: -68.830
tors. eta vs tors. theta energy: -144.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1578.188769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.188769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.188769 (E_RNA)
where:
Base-Base interactions energy: -1056.589
where: short stacking energy: -486.565
Base-Backbone interact. energy: 5.510
local terms energy: -527.110186
where:
bonds (distance) C4'-P energy: -110.225
bonds (distance) P-C4' energy: -106.934
flat angles C4'-P-C4' energy: -111.961
flat angles P-C4'-P energy: -67.881
tors. eta vs tors. theta energy: -130.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1581.977455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.977455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.977455 (E_RNA)
where:
Base-Base interactions energy: -1057.670
where: short stacking energy: -459.034
Base-Backbone interact. energy: -1.714
local terms energy: -522.593227
where:
bonds (distance) C4'-P energy: -110.660
bonds (distance) P-C4' energy: -93.910
flat angles C4'-P-C4' energy: -107.836
flat angles P-C4'-P energy: -75.895
tors. eta vs tors. theta energy: -134.292
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: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1384.489887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.489887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.489887 (E_RNA)
where:
Base-Base interactions energy: -910.664
where: short stacking energy: -413.295
Base-Backbone interact. energy: 2.784
local terms energy: -476.609421
where:
bonds (distance) C4'-P energy: -103.413
bonds (distance) P-C4' energy: -88.991
flat angles C4'-P-C4' energy: -105.962
flat angles P-C4'-P energy: -69.199
tors. eta vs tors. theta energy: -109.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1320.970106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.970106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.970106 (E_RNA)
where:
Base-Base interactions energy: -856.045
where: short stacking energy: -360.847
Base-Backbone interact. energy: -3.714
local terms energy: -461.210690
where:
bonds (distance) C4'-P energy: -98.704
bonds (distance) P-C4' energy: -85.293
flat angles C4'-P-C4' energy: -117.445
flat angles P-C4'-P energy: -73.834
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: 7, replica: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1232.106350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.106350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.106350 (E_RNA)
where:
Base-Base interactions energy: -804.280
where: short stacking energy: -355.809
Base-Backbone interact. energy: -0.903
local terms energy: -426.923439
where:
bonds (distance) C4'-P energy: -67.655
bonds (distance) P-C4' energy: -106.238
flat angles C4'-P-C4' energy: -97.624
flat angles P-C4'-P energy: -67.180
tors. eta vs tors. theta energy: -88.227
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: 2
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1176.542022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.542022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.542022 (E_RNA)
where:
Base-Base interactions energy: -782.228
where: short stacking energy: -347.214
Base-Backbone interact. energy: -1.114
local terms energy: -393.199448
where:
bonds (distance) C4'-P energy: -62.576
bonds (distance) P-C4' energy: -94.421
flat angles C4'-P-C4' energy: -97.626
flat angles P-C4'-P energy: -51.942
tors. eta vs tors. theta energy: -86.635
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: 3
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -867.599094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.599094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.599094 (E_RNA)
where:
Base-Base interactions energy: -508.277
where: short stacking energy: -243.411
Base-Backbone interact. energy: -1.847
local terms energy: -357.474734
where:
bonds (distance) C4'-P energy: -98.422
bonds (distance) P-C4' energy: -81.237
flat angles C4'-P-C4' energy: -84.372
flat angles P-C4'-P energy: -49.344
tors. eta vs tors. theta energy: -44.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -526.634403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.634403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.634403 (E_RNA)
where:
Base-Base interactions energy: -211.887
where: short stacking energy: -135.423
Base-Backbone interact. energy: -3.702
local terms energy: -311.045206
where:
bonds (distance) C4'-P energy: -97.122
bonds (distance) P-C4' energy: -83.468
flat angles C4'-P-C4' energy: -77.842
flat angles P-C4'-P energy: -54.586
tors. eta vs tors. theta energy: 1.974
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: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1830.910915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.910915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.910915 (E_RNA)
where:
Base-Base interactions energy: -1238.843
where: short stacking energy: -530.637
Base-Backbone interact. energy: -5.151
local terms energy: -586.916496
where:
bonds (distance) C4'-P energy: -113.179
bonds (distance) P-C4' energy: -104.863
flat angles C4'-P-C4' energy: -129.421
flat angles P-C4'-P energy: -82.622
tors. eta vs tors. theta energy: -156.831
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: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1693.681710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.681710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.681710 (E_RNA)
where:
Base-Base interactions energy: -1155.297
where: short stacking energy: -512.215
Base-Backbone interact. energy: -0.456
local terms energy: -537.928632
where:
bonds (distance) C4'-P energy: -99.913
bonds (distance) P-C4' energy: -94.860
flat angles C4'-P-C4' energy: -118.495
flat angles P-C4'-P energy: -80.407
tors. eta vs tors. theta energy: -144.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1575.905688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.905688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.905688 (E_RNA)
where:
Base-Base interactions energy: -1035.880
where: short stacking energy: -462.209
Base-Backbone interact. energy: -0.781
local terms energy: -539.244193
where:
bonds (distance) C4'-P energy: -112.630
bonds (distance) P-C4' energy: -109.572
flat angles C4'-P-C4' energy: -117.509
flat angles P-C4'-P energy: -68.879
tors. eta vs tors. theta energy: -130.655
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: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1556.666730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.666730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.666730 (E_RNA)
where:
Base-Base interactions energy: -1046.524
where: short stacking energy: -481.361
Base-Backbone interact. energy: -0.397
local terms energy: -509.745279
where:
bonds (distance) C4'-P energy: -90.893
bonds (distance) P-C4' energy: -110.919
flat angles C4'-P-C4' energy: -108.783
flat angles P-C4'-P energy: -71.479
tors. eta vs tors. theta energy: -127.671
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: 6
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1422.787411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.787411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.787411 (E_RNA)
where:
Base-Base interactions energy: -964.053
where: short stacking energy: -428.431
Base-Backbone interact. energy: -0.932
local terms energy: -457.802188
where:
bonds (distance) C4'-P energy: -93.392
bonds (distance) P-C4' energy: -83.317
flat angles C4'-P-C4' energy: -100.019
flat angles P-C4'-P energy: -76.800
tors. eta vs tors. theta energy: -104.275
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: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1344.416367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.416367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.416367 (E_RNA)
where:
Base-Base interactions energy: -904.280
where: short stacking energy: -399.681
Base-Backbone interact. energy: 0.460
local terms energy: -440.596008
where:
bonds (distance) C4'-P energy: -93.829
bonds (distance) P-C4' energy: -103.096
flat angles C4'-P-C4' energy: -86.263
flat angles P-C4'-P energy: -62.054
tors. eta vs tors. theta energy: -95.355
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: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1224.679436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.679436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.679436 (E_RNA)
where:
Base-Base interactions energy: -775.755
where: short stacking energy: -357.823
Base-Backbone interact. energy: -0.678
local terms energy: -448.246433
where:
bonds (distance) C4'-P energy: -104.438
bonds (distance) P-C4' energy: -92.402
flat angles C4'-P-C4' energy: -105.185
flat angles P-C4'-P energy: -59.820
tors. eta vs tors. theta energy: -86.401
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: 2
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1178.869619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.869619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.869619 (E_RNA)
where:
Base-Base interactions energy: -759.198
where: short stacking energy: -346.688
Base-Backbone interact. energy: -1.784
local terms energy: -417.887047
where:
bonds (distance) C4'-P energy: -93.497
bonds (distance) P-C4' energy: -100.445
flat angles C4'-P-C4' energy: -80.467
flat angles P-C4'-P energy: -63.136
tors. eta vs tors. theta energy: -80.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -873.705882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.705882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.705882 (E_RNA)
where:
Base-Base interactions energy: -544.036
where: short stacking energy: -260.770
Base-Backbone interact. energy: 1.428
local terms energy: -331.097485
where:
bonds (distance) C4'-P energy: -79.428
bonds (distance) P-C4' energy: -89.783
flat angles C4'-P-C4' energy: -72.464
flat angles P-C4'-P energy: -44.847
tors. eta vs tors. theta energy: -44.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -514.324046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.324046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.324046 (E_RNA)
where:
Base-Base interactions energy: -232.180
where: short stacking energy: -163.628
Base-Backbone interact. energy: -1.558
local terms energy: -280.586305
where:
bonds (distance) C4'-P energy: -87.422
bonds (distance) P-C4' energy: -88.086
flat angles C4'-P-C4' energy: -70.891
flat angles P-C4'-P energy: -39.858
tors. eta vs tors. theta energy: 5.671
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: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1823.534721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.534721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.534721 (E_RNA)
where:
Base-Base interactions energy: -1227.622
where: short stacking energy: -533.986
Base-Backbone interact. energy: -1.867
local terms energy: -594.045155
where:
bonds (distance) C4'-P energy: -113.031
bonds (distance) P-C4' energy: -114.182
flat angles C4'-P-C4' energy: -119.767
flat angles P-C4'-P energy: -85.805
tors. eta vs tors. theta energy: -161.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1694.840204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.840204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.840204 (E_RNA)
where:
Base-Base interactions energy: -1140.606
where: short stacking energy: -503.096
Base-Backbone interact. energy: -2.912
local terms energy: -551.322679
where:
bonds (distance) C4'-P energy: -102.450
bonds (distance) P-C4' energy: -101.832
flat angles C4'-P-C4' energy: -116.111
flat angles P-C4'-P energy: -89.705
tors. eta vs tors. theta energy: -141.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1601.457551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.457551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.457551 (E_RNA)
where:
Base-Base interactions energy: -1093.041
where: short stacking energy: -464.759
Base-Backbone interact. energy: 0.171
local terms energy: -508.586908
where:
bonds (distance) C4'-P energy: -102.692
bonds (distance) P-C4' energy: -105.794
flat angles C4'-P-C4' energy: -108.183
flat angles P-C4'-P energy: -82.924
tors. eta vs tors. theta energy: -108.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1585.425562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.425562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.425562 (E_RNA)
where:
Base-Base interactions energy: -1072.194
where: short stacking energy: -467.569
Base-Backbone interact. energy: -5.193
local terms energy: -508.038017
where:
bonds (distance) C4'-P energy: -86.904
bonds (distance) P-C4' energy: -110.827
flat angles C4'-P-C4' energy: -110.458
flat angles P-C4'-P energy: -62.308
tors. eta vs tors. theta energy: -137.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1363.564585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.564585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.564585 (E_RNA)
where:
Base-Base interactions energy: -909.786
where: short stacking energy: -419.577
Base-Backbone interact. energy: -1.693
local terms energy: -452.086049
where:
bonds (distance) C4'-P energy: -102.636
bonds (distance) P-C4' energy: -93.356
flat angles C4'-P-C4' energy: -98.497
flat angles P-C4'-P energy: -62.052
tors. eta vs tors. theta energy: -95.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1387.583618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.583618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.583618 (E_RNA)
where:
Base-Base interactions energy: -922.524
where: short stacking energy: -388.623
Base-Backbone interact. energy: 5.104
local terms energy: -470.164440
where:
bonds (distance) C4'-P energy: -96.040
bonds (distance) P-C4' energy: -99.334
flat angles C4'-P-C4' energy: -110.283
flat angles P-C4'-P energy: -68.934
tors. eta vs tors. theta energy: -95.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1236.044933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.044933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.044933 (E_RNA)
where:
Base-Base interactions energy: -798.869
where: short stacking energy: -353.221
Base-Backbone interact. energy: -0.024
local terms energy: -437.151334
where:
bonds (distance) C4'-P energy: -100.741
bonds (distance) P-C4' energy: -95.258
flat angles C4'-P-C4' energy: -96.924
flat angles P-C4'-P energy: -64.404
tors. eta vs tors. theta energy: -79.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1192.369145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.369145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.369145 (E_RNA)
where:
Base-Base interactions energy: -802.779
where: short stacking energy: -352.276
Base-Backbone interact. energy: 6.037
local terms energy: -395.627246
where:
bonds (distance) C4'-P energy: -61.144
bonds (distance) P-C4' energy: -94.815
flat angles C4'-P-C4' energy: -96.201
flat angles P-C4'-P energy: -52.401
tors. eta vs tors. theta energy: -91.066
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: 3
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -909.050182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.050182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.050182 (E_RNA)
where:
Base-Base interactions energy: -542.782
where: short stacking energy: -263.455
Base-Backbone interact. energy: 3.864
local terms energy: -370.131783
where:
bonds (distance) C4'-P energy: -96.335
bonds (distance) P-C4' energy: -104.473
flat angles C4'-P-C4' energy: -80.737
flat angles P-C4'-P energy: -53.398
tors. eta vs tors. theta energy: -35.189
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: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -526.772546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.772546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.772546 (E_RNA)
where:
Base-Base interactions energy: -266.486
where: short stacking energy: -156.390
Base-Backbone interact. energy: -1.331
local terms energy: -258.955232
where:
bonds (distance) C4'-P energy: -75.413
bonds (distance) P-C4' energy: -84.539
flat angles C4'-P-C4' energy: -66.957
flat angles P-C4'-P energy: -45.875
tors. eta vs tors. theta energy: 13.829
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: 1, replica: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1855.141638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.141638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.141638 (E_RNA)
where:
Base-Base interactions energy: -1252.699
where: short stacking energy: -561.338
Base-Backbone interact. energy: -6.206
local terms energy: -596.236667
where:
bonds (distance) C4'-P energy: -106.510
bonds (distance) P-C4' energy: -115.685
flat angles C4'-P-C4' energy: -130.067
flat angles P-C4'-P energy: -77.163
tors. eta vs tors. theta energy: -166.812
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: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1749.145844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.145844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.145844 (E_RNA)
where:
Base-Base interactions energy: -1212.514
where: short stacking energy: -521.252
Base-Backbone interact. energy: 0.042
local terms energy: -536.673448
where:
bonds (distance) C4'-P energy: -95.282
bonds (distance) P-C4' energy: -101.083
flat angles C4'-P-C4' energy: -120.549
flat angles P-C4'-P energy: -78.161
tors. eta vs tors. theta energy: -141.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1586.501471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.501471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.501471 (E_RNA)
where:
Base-Base interactions energy: -1072.603
where: short stacking energy: -488.297
Base-Backbone interact. energy: -1.931
local terms energy: -511.967562
where:
bonds (distance) C4'-P energy: -89.429
bonds (distance) P-C4' energy: -101.544
flat angles C4'-P-C4' energy: -119.237
flat angles P-C4'-P energy: -70.738
tors. eta vs tors. theta energy: -131.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1576.041952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.041952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.041952 (E_RNA)
where:
Base-Base interactions energy: -1056.695
where: short stacking energy: -514.144
Base-Backbone interact. energy: 2.153
local terms energy: -521.500266
where:
bonds (distance) C4'-P energy: -95.080
bonds (distance) P-C4' energy: -95.358
flat angles C4'-P-C4' energy: -109.500
flat angles P-C4'-P energy: -71.635
tors. eta vs tors. theta energy: -149.928
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: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1411.082187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.082187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.082187 (E_RNA)
where:
Base-Base interactions energy: -926.438
where: short stacking energy: -405.454
Base-Backbone interact. energy: -1.153
local terms energy: -483.490820
where:
bonds (distance) C4'-P energy: -108.731
bonds (distance) P-C4' energy: -99.725
flat angles C4'-P-C4' energy: -104.304
flat angles P-C4'-P energy: -71.383
tors. eta vs tors. theta energy: -99.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1312.878389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.878389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.878389 (E_RNA)
where:
Base-Base interactions energy: -844.603
where: short stacking energy: -394.337
Base-Backbone interact. energy: 0.015
local terms energy: -468.289935
where:
bonds (distance) C4'-P energy: -95.340
bonds (distance) P-C4' energy: -114.319
flat angles C4'-P-C4' energy: -106.937
flat angles P-C4'-P energy: -67.188
tors. eta vs tors. theta energy: -84.506
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: 96
Temperature: 1.200000
Total energy: -1274.642897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.642897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.642897 (E_RNA)
where:
Base-Base interactions energy: -835.570
where: short stacking energy: -370.778
Base-Backbone interact. energy: -0.833
local terms energy: -438.240537
where:
bonds (distance) C4'-P energy: -87.159
bonds (distance) P-C4' energy: -87.250
flat angles C4'-P-C4' energy: -91.350
flat angles P-C4'-P energy: -77.743
tors. eta vs tors. theta energy: -94.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1207.136388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.136388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.136388 (E_RNA)
where:
Base-Base interactions energy: -788.783
where: short stacking energy: -342.942
Base-Backbone interact. energy: -1.490
local terms energy: -416.863481
where:
bonds (distance) C4'-P energy: -93.381
bonds (distance) P-C4' energy: -89.417
flat angles C4'-P-C4' energy: -99.613
flat angles P-C4'-P energy: -63.005
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: 9, replica: 3
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -879.620143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.620143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.620143 (E_RNA)
where:
Base-Base interactions energy: -513.405
where: short stacking energy: -243.612
Base-Backbone interact. energy: -1.945
local terms energy: -364.269983
where:
bonds (distance) C4'-P energy: -87.491
bonds (distance) P-C4' energy: -89.027
flat angles C4'-P-C4' energy: -74.198
flat angles P-C4'-P energy: -63.700
tors. eta vs tors. theta energy: -49.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -595.986346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.986346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.986346 (E_RNA)
where:
Base-Base interactions energy: -272.149
where: short stacking energy: -156.758
Base-Backbone interact. energy: -0.687
local terms energy: -323.149718
where:
bonds (distance) C4'-P energy: -89.296
bonds (distance) P-C4' energy: -94.907
flat angles C4'-P-C4' energy: -86.990
flat angles P-C4'-P energy: -51.815
tors. eta vs tors. theta energy: -0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1837.473982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.473982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.473982 (E_RNA)
where:
Base-Base interactions energy: -1234.889
where: short stacking energy: -524.473
Base-Backbone interact. energy: -4.541
local terms energy: -598.044893
where:
bonds (distance) C4'-P energy: -125.343
bonds (distance) P-C4' energy: -121.059
flat angles C4'-P-C4' energy: -116.636
flat angles P-C4'-P energy: -69.648
tors. eta vs tors. theta energy: -165.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1740.508370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.508370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.508370 (E_RNA)
where:
Base-Base interactions energy: -1193.865
where: short stacking energy: -509.932
Base-Backbone interact. energy: -2.557
local terms energy: -544.086240
where:
bonds (distance) C4'-P energy: -104.940
bonds (distance) P-C4' energy: -107.048
flat angles C4'-P-C4' energy: -116.647
flat angles P-C4'-P energy: -75.679
tors. eta vs tors. theta energy: -139.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1595.124492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.124492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.124492 (E_RNA)
where:
Base-Base interactions energy: -1079.604
where: short stacking energy: -477.041
Base-Backbone interact. energy: 1.184
local terms energy: -516.703760
where:
bonds (distance) C4'-P energy: -95.539
bonds (distance) P-C4' energy: -96.968
flat angles C4'-P-C4' energy: -129.575
flat angles P-C4'-P energy: -71.124
tors. eta vs tors. theta energy: -123.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1529.463903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.463903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.463903 (E_RNA)
where:
Base-Base interactions energy: -1020.706
where: short stacking energy: -454.983
Base-Backbone interact. energy: -0.827
local terms energy: -507.931606
where:
bonds (distance) C4'-P energy: -101.536
bonds (distance) P-C4' energy: -103.500
flat angles C4'-P-C4' energy: -101.396
flat angles P-C4'-P energy: -84.238
tors. eta vs tors. theta energy: -117.261
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: 8
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1436.481703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.481703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.481703 (E_RNA)
where:
Base-Base interactions energy: -949.296
where: short stacking energy: -416.550
Base-Backbone interact. energy: -1.803
local terms energy: -485.382927
where:
bonds (distance) C4'-P energy: -99.370
bonds (distance) P-C4' energy: -106.104
flat angles C4'-P-C4' energy: -108.566
flat angles P-C4'-P energy: -65.023
tors. eta vs tors. theta energy: -106.320
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: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1319.168712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.168712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.168712 (E_RNA)
where:
Base-Base interactions energy: -861.937
where: short stacking energy: -412.657
Base-Backbone interact. energy: -3.405
local terms energy: -453.826876
where:
bonds (distance) C4'-P energy: -98.385
bonds (distance) P-C4' energy: -91.081
flat angles C4'-P-C4' energy: -91.084
flat angles P-C4'-P energy: -69.577
tors. eta vs tors. theta energy: -103.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1233.192082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.192082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.192082 (E_RNA)
where:
Base-Base interactions energy: -808.512
where: short stacking energy: -374.678
Base-Backbone interact. energy: 2.250
local terms energy: -426.929331
where:
bonds (distance) C4'-P energy: -95.555
bonds (distance) P-C4' energy: -80.879
flat angles C4'-P-C4' energy: -100.624
flat angles P-C4'-P energy: -67.471
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: 8, replica: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1185.116153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.116153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.116153 (E_RNA)
where:
Base-Base interactions energy: -789.919
where: short stacking energy: -349.270
Base-Backbone interact. energy: -3.159
local terms energy: -392.037884
where:
bonds (distance) C4'-P energy: -84.181
bonds (distance) P-C4' energy: -93.252
flat angles C4'-P-C4' energy: -76.986
flat angles P-C4'-P energy: -60.739
tors. eta vs tors. theta energy: -76.880
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: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -877.682643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.682643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.682643 (E_RNA)
where:
Base-Base interactions energy: -537.012
where: short stacking energy: -256.588
Base-Backbone interact. energy: 2.962
local terms energy: -343.632254
where:
bonds (distance) C4'-P energy: -90.150
bonds (distance) P-C4' energy: -83.817
flat angles C4'-P-C4' energy: -82.376
flat angles P-C4'-P energy: -47.914
tors. eta vs tors. theta energy: -39.375
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: 97
Temperature: 1.350000
Total energy: -550.055712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.055712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.055712 (E_RNA)
where:
Base-Base interactions energy: -254.317
where: short stacking energy: -157.596
Base-Backbone interact. energy: -0.635
local terms energy: -295.104173
where:
bonds (distance) C4'-P energy: -93.196
bonds (distance) P-C4' energy: -102.683
flat angles C4'-P-C4' energy: -62.407
flat angles P-C4'-P energy: -45.530
tors. eta vs tors. theta energy: 8.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1842.346925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.346925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.346925 (E_RNA)
where:
Base-Base interactions energy: -1243.693
where: short stacking energy: -569.485
Base-Backbone interact. energy: -4.293
local terms energy: -594.360898
where:
bonds (distance) C4'-P energy: -106.094
bonds (distance) P-C4' energy: -110.911
flat angles C4'-P-C4' energy: -127.488
flat angles P-C4'-P energy: -86.109
tors. eta vs tors. theta energy: -163.760
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: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1713.472177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.472177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.472177 (E_RNA)
where:
Base-Base interactions energy: -1172.878
where: short stacking energy: -498.874
Base-Backbone interact. energy: 1.018
local terms energy: -541.612600
where:
bonds (distance) C4'-P energy: -99.944
bonds (distance) P-C4' energy: -111.571
flat angles C4'-P-C4' energy: -105.629
flat angles P-C4'-P energy: -84.322
tors. eta vs tors. theta energy: -140.145
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: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1628.703021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.703021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.703021 (E_RNA)
where:
Base-Base interactions energy: -1085.581
where: short stacking energy: -506.152
Base-Backbone interact. energy: -2.921
local terms energy: -540.200793
where:
bonds (distance) C4'-P energy: -112.089
bonds (distance) P-C4' energy: -90.646
flat angles C4'-P-C4' energy: -113.221
flat angles P-C4'-P energy: -82.722
tors. eta vs tors. theta energy: -141.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1555.371076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.371076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.371076 (E_RNA)
where:
Base-Base interactions energy: -1047.293
where: short stacking energy: -470.295
Base-Backbone interact. energy: -3.359
local terms energy: -504.719193
where:
bonds (distance) C4'-P energy: -88.660
bonds (distance) P-C4' energy: -96.450
flat angles C4'-P-C4' energy: -114.175
flat angles P-C4'-P energy: -73.833
tors. eta vs tors. theta energy: -131.602
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: 8
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1452.051282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.051282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.051282 (E_RNA)
where:
Base-Base interactions energy: -958.812
where: short stacking energy: -428.125
Base-Backbone interact. energy: -2.399
local terms energy: -490.840808
where:
bonds (distance) C4'-P energy: -102.695
bonds (distance) P-C4' energy: -101.370
flat angles C4'-P-C4' energy: -105.420
flat angles P-C4'-P energy: -60.014
tors. eta vs tors. theta energy: -121.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1302.816949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.816949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.816949 (E_RNA)
where:
Base-Base interactions energy: -854.873
where: short stacking energy: -368.938
Base-Backbone interact. energy: 0.007
local terms energy: -447.950330
where:
bonds (distance) C4'-P energy: -91.044
bonds (distance) P-C4' energy: -102.162
flat angles C4'-P-C4' energy: -99.357
flat angles P-C4'-P energy: -64.897
tors. eta vs tors. theta energy: -90.491
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: 2
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1261.939012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.939012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.939012 (E_RNA)
where:
Base-Base interactions energy: -821.532
where: short stacking energy: -368.123
Base-Backbone interact. energy: -1.062
local terms energy: -439.345063
where:
bonds (distance) C4'-P energy: -94.844
bonds (distance) P-C4' energy: -101.174
flat angles C4'-P-C4' energy: -108.180
flat angles P-C4'-P energy: -43.033
tors. eta vs tors. theta energy: -92.114
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: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1176.720518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.720518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.720518 (E_RNA)
where:
Base-Base interactions energy: -789.989
where: short stacking energy: -334.892
Base-Backbone interact. energy: -1.679
local terms energy: -385.051584
where:
bonds (distance) C4'-P energy: -77.546
bonds (distance) P-C4' energy: -89.271
flat angles C4'-P-C4' energy: -98.624
flat angles P-C4'-P energy: -51.659
tors. eta vs tors. theta energy: -67.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -871.658809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.658809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.658809 (E_RNA)
where:
Base-Base interactions energy: -529.379
where: short stacking energy: -260.395
Base-Backbone interact. energy: 0.004
local terms energy: -342.283527
where:
bonds (distance) C4'-P energy: -93.910
bonds (distance) P-C4' energy: -92.319
flat angles C4'-P-C4' energy: -78.215
flat angles P-C4'-P energy: -37.708
tors. eta vs tors. theta energy: -40.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -537.414685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.414685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.414685 (E_RNA)
where:
Base-Base interactions energy: -252.969
where: short stacking energy: -160.342
Base-Backbone interact. energy: 1.222
local terms energy: -285.666819
where:
bonds (distance) C4'-P energy: -74.741
bonds (distance) P-C4' energy: -85.129
flat angles C4'-P-C4' energy: -75.390
flat angles P-C4'-P energy: -52.081
tors. eta vs tors. theta energy: 1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1837.257490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.257490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.257490 (E_RNA)
where:
Base-Base interactions energy: -1260.390
where: short stacking energy: -529.241
Base-Backbone interact. energy: -1.309
local terms energy: -575.557966
where:
bonds (distance) C4'-P energy: -108.519
bonds (distance) P-C4' energy: -109.857
flat angles C4'-P-C4' energy: -119.555
flat angles P-C4'-P energy: -83.285
tors. eta vs tors. theta energy: -154.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1765.949356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.949356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.949356 (E_RNA)
where:
Base-Base interactions energy: -1205.721
where: short stacking energy: -530.768
Base-Backbone interact. energy: -5.436
local terms energy: -554.792673
where:
bonds (distance) C4'-P energy: -109.585
bonds (distance) P-C4' energy: -97.780
flat angles C4'-P-C4' energy: -121.813
flat angles P-C4'-P energy: -77.934
tors. eta vs tors. theta energy: -147.681
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: 3, replica: 5
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1578.911107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.911107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.911107 (E_RNA)
where:
Base-Base interactions energy: -1063.009
where: short stacking energy: -482.642
Base-Backbone interact. energy: 0.584
local terms energy: -516.486706
where:
bonds (distance) C4'-P energy: -104.322
bonds (distance) P-C4' energy: -109.220
flat angles C4'-P-C4' energy: -110.171
flat angles P-C4'-P energy: -58.292
tors. eta vs tors. theta energy: -134.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1576.648672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.648672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.648672 (E_RNA)
where:
Base-Base interactions energy: -1062.697
where: short stacking energy: -453.348
Base-Backbone interact. energy: -2.488
local terms energy: -511.463924
where:
bonds (distance) C4'-P energy: -95.477
bonds (distance) P-C4' energy: -101.329
flat angles C4'-P-C4' energy: -109.839
flat angles P-C4'-P energy: -75.507
tors. eta vs tors. theta energy: -129.312
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: 5, replica: 8
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1436.194444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.194444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.194444 (E_RNA)
where:
Base-Base interactions energy: -956.714
where: short stacking energy: -429.163
Base-Backbone interact. energy: -1.976
local terms energy: -477.504690
where:
bonds (distance) C4'-P energy: -89.816
bonds (distance) P-C4' energy: -94.059
flat angles C4'-P-C4' energy: -108.134
flat angles P-C4'-P energy: -77.443
tors. eta vs tors. theta energy: -108.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1324.300747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.300747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.300747 (E_RNA)
where:
Base-Base interactions energy: -854.978
where: short stacking energy: -387.987
Base-Backbone interact. energy: -1.716
local terms energy: -467.606904
where:
bonds (distance) C4'-P energy: -83.194
bonds (distance) P-C4' energy: -97.333
flat angles C4'-P-C4' energy: -108.953
flat angles P-C4'-P energy: -84.881
tors. eta vs tors. theta energy: -93.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1242.273309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.273309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.273309 (E_RNA)
where:
Base-Base interactions energy: -813.398
where: short stacking energy: -359.067
Base-Backbone interact. energy: 0.758
local terms energy: -429.632534
where:
bonds (distance) C4'-P energy: -94.657
bonds (distance) P-C4' energy: -89.540
flat angles C4'-P-C4' energy: -105.175
flat angles P-C4'-P energy: -51.220
tors. eta vs tors. theta energy: -89.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1203.436464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.436464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.436464 (E_RNA)
where:
Base-Base interactions energy: -796.042
where: short stacking energy: -348.051
Base-Backbone interact. energy: -0.957
local terms energy: -406.437500
where:
bonds (distance) C4'-P energy: -78.793
bonds (distance) P-C4' energy: -100.503
flat angles C4'-P-C4' energy: -102.161
flat angles P-C4'-P energy: -47.424
tors. eta vs tors. theta energy: -77.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -874.487593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.487593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.487593 (E_RNA)
where:
Base-Base interactions energy: -530.249
where: short stacking energy: -248.930
Base-Backbone interact. energy: 0.835
local terms energy: -345.073318
where:
bonds (distance) C4'-P energy: -104.485
bonds (distance) P-C4' energy: -89.553
flat angles C4'-P-C4' energy: -87.625
flat angles P-C4'-P energy: -26.954
tors. eta vs tors. theta energy: -36.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -496.435618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.435618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.435618 (E_RNA)
where:
Base-Base interactions energy: -226.488
where: short stacking energy: -131.186
Base-Backbone interact. energy: -0.514
local terms energy: -269.433794
where:
bonds (distance) C4'-P energy: -74.431
bonds (distance) P-C4' energy: -93.503
flat angles C4'-P-C4' energy: -64.897
flat angles P-C4'-P energy: -53.214
tors. eta vs tors. theta energy: 16.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1811.015613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.015613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.015613 (E_RNA)
where:
Base-Base interactions energy: -1242.388
where: short stacking energy: -528.284
Base-Backbone interact. energy: -3.782
local terms energy: -564.844868
where:
bonds (distance) C4'-P energy: -102.350
bonds (distance) P-C4' energy: -113.548
flat angles C4'-P-C4' energy: -117.273
flat angles P-C4'-P energy: -81.851
tors. eta vs tors. theta energy: -149.824
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: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1723.788370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.788370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.788370 (E_RNA)
where:
Base-Base interactions energy: -1169.227
where: short stacking energy: -489.943
Base-Backbone interact. energy: -3.478
local terms energy: -551.082687
where:
bonds (distance) C4'-P energy: -109.197
bonds (distance) P-C4' energy: -108.998
flat angles C4'-P-C4' energy: -109.830
flat angles P-C4'-P energy: -83.187
tors. eta vs tors. theta energy: -139.870
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: 1
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1654.090782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.090782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.090782 (E_RNA)
where:
Base-Base interactions energy: -1105.168
where: short stacking energy: -490.879
Base-Backbone interact. energy: -1.635
local terms energy: -547.287786
where:
bonds (distance) C4'-P energy: -102.277
bonds (distance) P-C4' energy: -106.480
flat angles C4'-P-C4' energy: -123.937
flat angles P-C4'-P energy: -79.514
tors. eta vs tors. theta energy: -135.081
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: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1551.613557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.613557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.613557 (E_RNA)
where:
Base-Base interactions energy: -1039.802
where: short stacking energy: -474.505
Base-Backbone interact. energy: -2.447
local terms energy: -509.365054
where:
bonds (distance) C4'-P energy: -95.590
bonds (distance) P-C4' energy: -97.063
flat angles C4'-P-C4' energy: -111.433
flat angles P-C4'-P energy: -72.748
tors. eta vs tors. theta energy: -132.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1458.036160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.036160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.036160 (E_RNA)
where:
Base-Base interactions energy: -978.051
where: short stacking energy: -437.031
Base-Backbone interact. energy: -2.042
local terms energy: -477.943681
where:
bonds (distance) C4'-P energy: -91.813
bonds (distance) P-C4' energy: -89.504
flat angles C4'-P-C4' energy: -102.518
flat angles P-C4'-P energy: -70.013
tors. eta vs tors. theta energy: -124.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1333.368411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.368411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.368411 (E_RNA)
where:
Base-Base interactions energy: -875.466
where: short stacking energy: -393.098
Base-Backbone interact. energy: -1.190
local terms energy: -456.712272
where:
bonds (distance) C4'-P energy: -93.842
bonds (distance) P-C4' energy: -104.649
flat angles C4'-P-C4' energy: -91.998
flat angles P-C4'-P energy: -71.417
tors. eta vs tors. theta energy: -94.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1230.233508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.233508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.233508 (E_RNA)
where:
Base-Base interactions energy: -772.597
where: short stacking energy: -337.442
Base-Backbone interact. energy: -0.961
local terms energy: -456.675727
where:
bonds (distance) C4'-P energy: -84.487
bonds (distance) P-C4' energy: -102.810
flat angles C4'-P-C4' energy: -104.136
flat angles P-C4'-P energy: -78.843
tors. eta vs tors. theta energy: -86.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1181.235941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.235941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.235941 (E_RNA)
where:
Base-Base interactions energy: -818.203
where: short stacking energy: -336.960
Base-Backbone interact. energy: -0.487
local terms energy: -362.546697
where:
bonds (distance) C4'-P energy: -73.982
bonds (distance) P-C4' energy: -96.384
flat angles C4'-P-C4' energy: -78.248
flat angles P-C4'-P energy: -45.478
tors. eta vs tors. theta energy: -68.454
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: 3
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -860.590876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.590876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.590876 (E_RNA)
where:
Base-Base interactions energy: -506.294
where: short stacking energy: -245.728
Base-Backbone interact. energy: 0.139
local terms energy: -354.435759
where:
bonds (distance) C4'-P energy: -95.966
bonds (distance) P-C4' energy: -84.415
flat angles C4'-P-C4' energy: -77.958
flat angles P-C4'-P energy: -55.644
tors. eta vs tors. theta energy: -40.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -491.162870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.162870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.162870 (E_RNA)
where:
Base-Base interactions energy: -215.504
where: short stacking energy: -148.777
Base-Backbone interact. energy: 3.111
local terms energy: -278.769079
where:
bonds (distance) C4'-P energy: -84.034
bonds (distance) P-C4' energy: -83.059
flat angles C4'-P-C4' energy: -58.084
flat angles P-C4'-P energy: -61.394
tors. eta vs tors. theta energy: 7.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1803.634436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.634436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.634436 (E_RNA)
where:
Base-Base interactions energy: -1236.829
where: short stacking energy: -525.507
Base-Backbone interact. energy: -3.632
local terms energy: -563.173167
where:
bonds (distance) C4'-P energy: -100.508
bonds (distance) P-C4' energy: -111.843
flat angles C4'-P-C4' energy: -118.604
flat angles P-C4'-P energy: -72.297
tors. eta vs tors. theta energy: -159.921
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: 2, replica: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1682.944146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.944146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.944146 (E_RNA)
where:
Base-Base interactions energy: -1135.838
where: short stacking energy: -507.549
Base-Backbone interact. energy: -3.232
local terms energy: -543.874329
where:
bonds (distance) C4'-P energy: -96.627
bonds (distance) P-C4' energy: -119.763
flat angles C4'-P-C4' energy: -110.306
flat angles P-C4'-P energy: -77.110
tors. eta vs tors. theta energy: -140.068
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: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1678.971884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.971884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.971884 (E_RNA)
where:
Base-Base interactions energy: -1153.284
where: short stacking energy: -481.901
Base-Backbone interact. energy: -0.973
local terms energy: -524.714671
where:
bonds (distance) C4'-P energy: -99.332
bonds (distance) P-C4' energy: -104.874
flat angles C4'-P-C4' energy: -106.831
flat angles P-C4'-P energy: -80.412
tors. eta vs tors. theta energy: -133.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1562.685421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.685421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.685421 (E_RNA)
where:
Base-Base interactions energy: -1052.533
where: short stacking energy: -496.975
Base-Backbone interact. energy: -0.727
local terms energy: -509.425422
where:
bonds (distance) C4'-P energy: -93.669
bonds (distance) P-C4' energy: -100.679
flat angles C4'-P-C4' energy: -106.027
flat angles P-C4'-P energy: -64.422
tors. eta vs tors. theta energy: -144.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1443.193502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.193502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.193502 (E_RNA)
where:
Base-Base interactions energy: -973.611
where: short stacking energy: -410.820
Base-Backbone interact. energy: -2.644
local terms energy: -466.938420
where:
bonds (distance) C4'-P energy: -108.963
bonds (distance) P-C4' energy: -91.337
flat angles C4'-P-C4' energy: -105.473
flat angles P-C4'-P energy: -61.080
tors. eta vs tors. theta energy: -100.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1279.128578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.128578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.128578 (E_RNA)
where:
Base-Base interactions energy: -820.328
where: short stacking energy: -372.989
Base-Backbone interact. energy: -1.863
local terms energy: -456.938306
where:
bonds (distance) C4'-P energy: -99.930
bonds (distance) P-C4' energy: -90.075
flat angles C4'-P-C4' energy: -108.622
flat angles P-C4'-P energy: -66.266
tors. eta vs tors. theta energy: -92.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1270.312586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.312586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.312586 (E_RNA)
where:
Base-Base interactions energy: -827.191
where: short stacking energy: -360.343
Base-Backbone interact. energy: 0.675
local terms energy: -443.796281
where:
bonds (distance) C4'-P energy: -110.923
bonds (distance) P-C4' energy: -90.473
flat angles C4'-P-C4' energy: -89.082
flat angles P-C4'-P energy: -62.326
tors. eta vs tors. theta energy: -90.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1172.806547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.806547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.806547 (E_RNA)
where:
Base-Base interactions energy: -771.591
where: short stacking energy: -335.263
Base-Backbone interact. energy: -2.540
local terms energy: -398.675773
where:
bonds (distance) C4'-P energy: -78.691
bonds (distance) P-C4' energy: -81.554
flat angles C4'-P-C4' energy: -88.280
flat angles P-C4'-P energy: -65.941
tors. eta vs tors. theta energy: -84.210
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: 3
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -865.510607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.510607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.510607 (E_RNA)
where:
Base-Base interactions energy: -507.207
where: short stacking energy: -227.017
Base-Backbone interact. energy: 1.488
local terms energy: -359.791416
where:
bonds (distance) C4'-P energy: -83.076
bonds (distance) P-C4' energy: -108.999
flat angles C4'-P-C4' energy: -92.333
flat angles P-C4'-P energy: -53.894
tors. eta vs tors. theta energy: -21.490
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: 10, replica: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -477.077613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.077613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.077613 (E_RNA)
where:
Base-Base interactions energy: -189.178
where: short stacking energy: -116.335
Base-Backbone interact. energy: -2.668
local terms energy: -285.231784
where:
bonds (distance) C4'-P energy: -98.791
bonds (distance) P-C4' energy: -90.793
flat angles C4'-P-C4' energy: -65.119
flat angles P-C4'-P energy: -57.480
tors. eta vs tors. theta energy: 26.951
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: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1807.738747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.738747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.738747 (E_RNA)
where:
Base-Base interactions energy: -1221.763
where: short stacking energy: -525.512
Base-Backbone interact. energy: -5.800
local terms energy: -580.175950
where:
bonds (distance) C4'-P energy: -108.435
bonds (distance) P-C4' energy: -115.871
flat angles C4'-P-C4' energy: -123.748
flat angles P-C4'-P energy: -81.931
tors. eta vs tors. theta energy: -150.190
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: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1676.087598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.087598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.087598 (E_RNA)
where:
Base-Base interactions energy: -1135.300
where: short stacking energy: -505.022
Base-Backbone interact. energy: -4.554
local terms energy: -536.233726
where:
bonds (distance) C4'-P energy: -94.935
bonds (distance) P-C4' energy: -103.983
flat angles C4'-P-C4' energy: -121.108
flat angles P-C4'-P energy: -83.820
tors. eta vs tors. theta energy: -132.387
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: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1668.714282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.714282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.714282 (E_RNA)
where:
Base-Base interactions energy: -1124.780
where: short stacking energy: -473.610
Base-Backbone interact. energy: -0.772
local terms energy: -543.162842
where:
bonds (distance) C4'-P energy: -98.118
bonds (distance) P-C4' energy: -101.552
flat angles C4'-P-C4' energy: -119.262
flat angles P-C4'-P energy: -83.270
tors. eta vs tors. theta energy: -140.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1525.043006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.043006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.043006 (E_RNA)
where:
Base-Base interactions energy: -1026.297
where: short stacking energy: -439.705
Base-Backbone interact. energy: -1.699
local terms energy: -497.047622
where:
bonds (distance) C4'-P energy: -100.775
bonds (distance) P-C4' energy: -94.101
flat angles C4'-P-C4' energy: -107.146
flat angles P-C4'-P energy: -75.063
tors. eta vs tors. theta energy: -119.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1433.856611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.856611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.856611 (E_RNA)
where:
Base-Base interactions energy: -952.538
where: short stacking energy: -419.369
Base-Backbone interact. energy: -1.304
local terms energy: -480.014306
where:
bonds (distance) C4'-P energy: -94.183
bonds (distance) P-C4' energy: -101.098
flat angles C4'-P-C4' energy: -108.709
flat angles P-C4'-P energy: -65.455
tors. eta vs tors. theta energy: -110.570
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: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1270.874985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.874985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.874985 (E_RNA)
where:
Base-Base interactions energy: -834.484
where: short stacking energy: -365.604
Base-Backbone interact. energy: -0.733
local terms energy: -435.658021
where:
bonds (distance) C4'-P energy: -82.716
bonds (distance) P-C4' energy: -101.577
flat angles C4'-P-C4' energy: -110.785
flat angles P-C4'-P energy: -68.332
tors. eta vs tors. theta energy: -72.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1318.682432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.682432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.682432 (E_RNA)
where:
Base-Base interactions energy: -842.643
where: short stacking energy: -386.423
Base-Backbone interact. energy: 1.600
local terms energy: -477.639145
where:
bonds (distance) C4'-P energy: -102.554
bonds (distance) P-C4' energy: -93.388
flat angles C4'-P-C4' energy: -100.199
flat angles P-C4'-P energy: -78.682
tors. eta vs tors. theta energy: -102.816
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: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1153.417697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.417697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.417697 (E_RNA)
where:
Base-Base interactions energy: -764.230
where: short stacking energy: -337.730
Base-Backbone interact. energy: -1.386
local terms energy: -387.802016
where:
bonds (distance) C4'-P energy: -87.209
bonds (distance) P-C4' energy: -94.419
flat angles C4'-P-C4' energy: -92.311
flat angles P-C4'-P energy: -52.210
tors. eta vs tors. theta energy: -61.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -830.736888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.736888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.736888 (E_RNA)
where:
Base-Base interactions energy: -488.286
where: short stacking energy: -231.292
Base-Backbone interact. energy: -2.509
local terms energy: -339.942092
where:
bonds (distance) C4'-P energy: -80.086
bonds (distance) P-C4' energy: -89.803
flat angles C4'-P-C4' energy: -100.182
flat angles P-C4'-P energy: -38.465
tors. eta vs tors. theta energy: -31.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -587.353369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.353369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.353369 (E_RNA)
where:
Base-Base interactions energy: -301.236
where: short stacking energy: -167.154
Base-Backbone interact. energy: 1.306
local terms energy: -287.423852
where:
bonds (distance) C4'-P energy: -89.837
bonds (distance) P-C4' energy: -82.819
flat angles C4'-P-C4' energy: -85.326
flat angles P-C4'-P energy: -41.682
tors. eta vs tors. theta energy: 12.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1834.975200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.975200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.975200 (E_RNA)
where:
Base-Base interactions energy: -1247.483
where: short stacking energy: -522.769
Base-Backbone interact. energy: -4.318
local terms energy: -583.174635
where:
bonds (distance) C4'-P energy: -114.734
bonds (distance) P-C4' energy: -106.195
flat angles C4'-P-C4' energy: -124.257
flat angles P-C4'-P energy: -81.563
tors. eta vs tors. theta energy: -156.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1679.365119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.365119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.365119 (E_RNA)
where:
Base-Base interactions energy: -1129.836
where: short stacking energy: -480.832
Base-Backbone interact. energy: -2.573
local terms energy: -546.956281
where:
bonds (distance) C4'-P energy: -105.363
bonds (distance) P-C4' energy: -101.831
flat angles C4'-P-C4' energy: -112.135
flat angles P-C4'-P energy: -85.857
tors. eta vs tors. theta energy: -141.769
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: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1655.102008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.102008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.102008 (E_RNA)
where:
Base-Base interactions energy: -1150.724
where: short stacking energy: -488.871
Base-Backbone interact. energy: -2.714
local terms energy: -501.664376
where:
bonds (distance) C4'-P energy: -102.170
bonds (distance) P-C4' energy: -111.754
flat angles C4'-P-C4' energy: -110.761
flat angles P-C4'-P energy: -47.562
tors. eta vs tors. theta energy: -129.417
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: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1518.630103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.630103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.630103 (E_RNA)
where:
Base-Base interactions energy: -1005.452
where: short stacking energy: -448.881
Base-Backbone interact. energy: -0.978
local terms energy: -512.200072
where:
bonds (distance) C4'-P energy: -102.340
bonds (distance) P-C4' energy: -87.654
flat angles C4'-P-C4' energy: -112.575
flat angles P-C4'-P energy: -82.103
tors. eta vs tors. theta energy: -127.528
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: 5, replica: 8
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1428.751535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.751535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.751535 (E_RNA)
where:
Base-Base interactions energy: -945.534
where: short stacking energy: -433.687
Base-Backbone interact. energy: 0.621
local terms energy: -483.838625
where:
bonds (distance) C4'-P energy: -84.582
bonds (distance) P-C4' energy: -100.068
flat angles C4'-P-C4' energy: -111.189
flat angles P-C4'-P energy: -81.689
tors. eta vs tors. theta energy: -106.311
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: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1380.508171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.508171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.508171 (E_RNA)
where:
Base-Base interactions energy: -917.835
where: short stacking energy: -411.984
Base-Backbone interact. energy: 4.264
local terms energy: -466.937955
where:
bonds (distance) C4'-P energy: -109.524
bonds (distance) P-C4' energy: -101.034
flat angles C4'-P-C4' energy: -100.361
flat angles P-C4'-P energy: -54.493
tors. eta vs tors. theta energy: -101.526
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: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1223.061594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.061594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.061594 (E_RNA)
where:
Base-Base interactions energy: -782.820
where: short stacking energy: -354.582
Base-Backbone interact. energy: 0.200
local terms energy: -440.441647
where:
bonds (distance) C4'-P energy: -91.214
bonds (distance) P-C4' energy: -103.625
flat angles C4'-P-C4' energy: -103.128
flat angles P-C4'-P energy: -63.655
tors. eta vs tors. theta energy: -78.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1153.116394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.116394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.116394 (E_RNA)
where:
Base-Base interactions energy: -772.435
where: short stacking energy: -327.117
Base-Backbone interact. energy: -1.872
local terms energy: -378.809594
where:
bonds (distance) C4'-P energy: -85.447
bonds (distance) P-C4' energy: -78.075
flat angles C4'-P-C4' energy: -92.390
flat angles P-C4'-P energy: -52.226
tors. eta vs tors. theta energy: -70.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -853.668179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.668179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.668179 (E_RNA)
where:
Base-Base interactions energy: -504.636
where: short stacking energy: -237.504
Base-Backbone interact. energy: 1.472
local terms energy: -350.504311
where:
bonds (distance) C4'-P energy: -86.960
bonds (distance) P-C4' energy: -90.015
flat angles C4'-P-C4' energy: -82.969
flat angles P-C4'-P energy: -55.552
tors. eta vs tors. theta energy: -35.008
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: 103
Temperature: 1.350000
Total energy: -510.630931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.630931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.630931 (E_RNA)
where:
Base-Base interactions energy: -241.337
where: short stacking energy: -138.628
Base-Backbone interact. energy: 5.836
local terms energy: -275.129814
where:
bonds (distance) C4'-P energy: -80.945
bonds (distance) P-C4' energy: -77.625
flat angles C4'-P-C4' energy: -88.011
flat angles P-C4'-P energy: -41.870
tors. eta vs tors. theta energy: 13.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1824.005960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.005960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.005960 (E_RNA)
where:
Base-Base interactions energy: -1237.551
where: short stacking energy: -543.264
Base-Backbone interact. energy: -4.914
local terms energy: -581.541125
where:
bonds (distance) C4'-P energy: -113.995
bonds (distance) P-C4' energy: -104.068
flat angles C4'-P-C4' energy: -125.956
flat angles P-C4'-P energy: -76.372
tors. eta vs tors. theta energy: -161.150
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: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1702.048966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.048966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.048966 (E_RNA)
where:
Base-Base interactions energy: -1154.946
where: short stacking energy: -501.975
Base-Backbone interact. energy: -0.636
local terms energy: -546.467399
where:
bonds (distance) C4'-P energy: -101.237
bonds (distance) P-C4' energy: -112.589
flat angles C4'-P-C4' energy: -116.685
flat angles P-C4'-P energy: -73.476
tors. eta vs tors. theta energy: -142.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1654.437228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.437228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.437228 (E_RNA)
where:
Base-Base interactions energy: -1112.491
where: short stacking energy: -466.294
Base-Backbone interact. energy: -3.314
local terms energy: -538.631719
where:
bonds (distance) C4'-P energy: -105.840
bonds (distance) P-C4' energy: -106.423
flat angles C4'-P-C4' energy: -121.345
flat angles P-C4'-P energy: -79.330
tors. eta vs tors. theta energy: -125.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1531.946991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.946991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.946991 (E_RNA)
where:
Base-Base interactions energy: -1021.841
where: short stacking energy: -450.137
Base-Backbone interact. energy: -1.724
local terms energy: -508.381837
where:
bonds (distance) C4'-P energy: -99.043
bonds (distance) P-C4' energy: -102.778
flat angles C4'-P-C4' energy: -98.778
flat angles P-C4'-P energy: -75.721
tors. eta vs tors. theta energy: -132.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1379.155263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.155263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.155263 (E_RNA)
where:
Base-Base interactions energy: -905.132
where: short stacking energy: -380.646
Base-Backbone interact. energy: -0.859
local terms energy: -473.163892
where:
bonds (distance) C4'-P energy: -105.822
bonds (distance) P-C4' energy: -106.316
flat angles C4'-P-C4' energy: -99.838
flat angles P-C4'-P energy: -67.144
tors. eta vs tors. theta energy: -94.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1380.709918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.709918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.709918 (E_RNA)
where:
Base-Base interactions energy: -911.789
where: short stacking energy: -399.379
Base-Backbone interact. energy: -0.328
local terms energy: -468.592959
where:
bonds (distance) C4'-P energy: -106.759
bonds (distance) P-C4' energy: -83.947
flat angles C4'-P-C4' energy: -103.971
flat angles P-C4'-P energy: -68.736
tors. eta vs tors. theta energy: -105.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1254.233308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.233308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.233308 (E_RNA)
where:
Base-Base interactions energy: -796.869
where: short stacking energy: -359.252
Base-Backbone interact. energy: -1.268
local terms energy: -456.096183
where:
bonds (distance) C4'-P energy: -99.495
bonds (distance) P-C4' energy: -106.009
flat angles C4'-P-C4' energy: -89.051
flat angles P-C4'-P energy: -75.491
tors. eta vs tors. theta energy: -86.051
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: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1160.835099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.835099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.835099 (E_RNA)
where:
Base-Base interactions energy: -754.647
where: short stacking energy: -320.925
Base-Backbone interact. energy: 2.747
local terms energy: -408.935552
where:
bonds (distance) C4'-P energy: -93.021
bonds (distance) P-C4' energy: -92.377
flat angles C4'-P-C4' energy: -104.704
flat angles P-C4'-P energy: -65.446
tors. eta vs tors. theta energy: -53.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -778.988132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.988132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.988132 (E_RNA)
where:
Base-Base interactions energy: -430.506
where: short stacking energy: -211.463
Base-Backbone interact. energy: 2.398
local terms energy: -350.879910
where:
bonds (distance) C4'-P energy: -94.936
bonds (distance) P-C4' energy: -96.268
flat angles C4'-P-C4' energy: -94.923
flat angles P-C4'-P energy: -46.082
tors. eta vs tors. theta energy: -18.671
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: 104
Temperature: 1.350000
Total energy: -534.047268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.047268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.047268 (E_RNA)
where:
Base-Base interactions energy: -231.589
where: short stacking energy: -151.201
Base-Backbone interact. energy: 3.117
local terms energy: -305.575246
where:
bonds (distance) C4'-P energy: -83.208
bonds (distance) P-C4' energy: -88.734
flat angles C4'-P-C4' energy: -78.980
flat angles P-C4'-P energy: -39.602
tors. eta vs tors. theta energy: -15.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1847.689978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.689978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.689978 (E_RNA)
where:
Base-Base interactions energy: -1251.139
where: short stacking energy: -539.507
Base-Backbone interact. energy: -4.955
local terms energy: -591.595635
where:
bonds (distance) C4'-P energy: -108.733
bonds (distance) P-C4' energy: -119.590
flat angles C4'-P-C4' energy: -120.936
flat angles P-C4'-P energy: -85.899
tors. eta vs tors. theta energy: -156.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1731.089748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.089748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.089748 (E_RNA)
where:
Base-Base interactions energy: -1195.070
where: short stacking energy: -519.741
Base-Backbone interact. energy: 1.135
local terms energy: -537.154248
where:
bonds (distance) C4'-P energy: -110.361
bonds (distance) P-C4' energy: -104.132
flat angles C4'-P-C4' energy: -108.212
flat angles P-C4'-P energy: -76.758
tors. eta vs tors. theta energy: -137.692
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: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1649.617064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.617064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.617064 (E_RNA)
where:
Base-Base interactions energy: -1127.721
where: short stacking energy: -504.376
Base-Backbone interact. energy: -3.032
local terms energy: -518.864044
where:
bonds (distance) C4'-P energy: -97.748
bonds (distance) P-C4' energy: -90.374
flat angles C4'-P-C4' energy: -111.478
flat angles P-C4'-P energy: -76.788
tors. eta vs tors. theta energy: -142.477
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: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1514.548827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.548827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.548827 (E_RNA)
where:
Base-Base interactions energy: -1021.461
where: short stacking energy: -452.737
Base-Backbone interact. energy: 0.351
local terms energy: -493.439227
where:
bonds (distance) C4'-P energy: -100.052
bonds (distance) P-C4' energy: -106.081
flat angles C4'-P-C4' energy: -94.855
flat angles P-C4'-P energy: -68.579
tors. eta vs tors. theta energy: -123.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1411.263330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.263330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.263330 (E_RNA)
where:
Base-Base interactions energy: -960.928
where: short stacking energy: -414.072
Base-Backbone interact. energy: -0.781
local terms energy: -449.554342
where:
bonds (distance) C4'-P energy: -104.081
bonds (distance) P-C4' energy: -90.438
flat angles C4'-P-C4' energy: -91.579
flat angles P-C4'-P energy: -64.508
tors. eta vs tors. theta energy: -98.948
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: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1336.349569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.349569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.349569 (E_RNA)
where:
Base-Base interactions energy: -898.547
where: short stacking energy: -385.936
Base-Backbone interact. energy: -0.644
local terms energy: -437.158001
where:
bonds (distance) C4'-P energy: -86.169
bonds (distance) P-C4' energy: -91.529
flat angles C4'-P-C4' energy: -100.156
flat angles P-C4'-P energy: -64.771
tors. eta vs tors. theta energy: -94.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1262.922781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.922781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.922781 (E_RNA)
where:
Base-Base interactions energy: -808.967
where: short stacking energy: -359.502
Base-Backbone interact. energy: 2.043
local terms energy: -455.998093
where:
bonds (distance) C4'-P energy: -90.939
bonds (distance) P-C4' energy: -101.675
flat angles C4'-P-C4' energy: -103.962
flat angles P-C4'-P energy: -68.300
tors. eta vs tors. theta energy: -91.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1208.678224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.678224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.678224 (E_RNA)
where:
Base-Base interactions energy: -801.623
where: short stacking energy: -341.453
Base-Backbone interact. energy: 6.372
local terms energy: -413.428033
where:
bonds (distance) C4'-P energy: -83.424
bonds (distance) P-C4' energy: -90.632
flat angles C4'-P-C4' energy: -97.147
flat angles P-C4'-P energy: -67.318
tors. eta vs tors. theta energy: -74.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -765.819094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.819094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.819094 (E_RNA)
where:
Base-Base interactions energy: -464.332
where: short stacking energy: -220.972
Base-Backbone interact. energy: 1.969
local terms energy: -303.456392
where:
bonds (distance) C4'-P energy: -85.013
bonds (distance) P-C4' energy: -92.455
flat angles C4'-P-C4' energy: -68.807
flat angles P-C4'-P energy: -40.927
tors. eta vs tors. theta energy: -16.254
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: 105
Temperature: 1.350000
Total energy: -505.715891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.715891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.715891 (E_RNA)
where:
Base-Base interactions energy: -222.069
where: short stacking energy: -149.524
Base-Backbone interact. energy: -0.045
local terms energy: -283.602659
where:
bonds (distance) C4'-P energy: -93.429
bonds (distance) P-C4' energy: -96.662
flat angles C4'-P-C4' energy: -73.051
flat angles P-C4'-P energy: -33.736
tors. eta vs tors. theta energy: 13.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1844.921829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.921829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.921829 (E_RNA)
where:
Base-Base interactions energy: -1251.324
where: short stacking energy: -544.065
Base-Backbone interact. energy: -1.804
local terms energy: -591.793446
where:
bonds (distance) C4'-P energy: -113.829
bonds (distance) P-C4' energy: -116.398
flat angles C4'-P-C4' energy: -126.427
flat angles P-C4'-P energy: -80.740
tors. eta vs tors. theta energy: -154.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1710.596052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.596052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.596052 (E_RNA)
where:
Base-Base interactions energy: -1153.041
where: short stacking energy: -479.319
Base-Backbone interact. energy: -3.039
local terms energy: -554.515545
where:
bonds (distance) C4'-P energy: -113.632
bonds (distance) P-C4' energy: -104.328
flat angles C4'-P-C4' energy: -120.564
flat angles P-C4'-P energy: -81.068
tors. eta vs tors. theta energy: -134.922
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: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1665.451050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.451050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.451050 (E_RNA)
where:
Base-Base interactions energy: -1124.935
where: short stacking energy: -501.009
Base-Backbone interact. energy: 1.830
local terms energy: -542.345903
where:
bonds (distance) C4'-P energy: -83.768
bonds (distance) P-C4' energy: -118.276
flat angles C4'-P-C4' energy: -118.021
flat angles P-C4'-P energy: -82.518
tors. eta vs tors. theta energy: -139.762
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: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1524.498579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.498579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.498579 (E_RNA)
where:
Base-Base interactions energy: -1015.016
where: short stacking energy: -460.309
Base-Backbone interact. energy: -1.831
local terms energy: -507.651378
where:
bonds (distance) C4'-P energy: -92.861
bonds (distance) P-C4' energy: -103.717
flat angles C4'-P-C4' energy: -110.327
flat angles P-C4'-P energy: -70.995
tors. eta vs tors. theta energy: -129.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1468.029022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.029022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.029022 (E_RNA)
where:
Base-Base interactions energy: -972.442
where: short stacking energy: -426.738
Base-Backbone interact. energy: -2.483
local terms energy: -493.104413
where:
bonds (distance) C4'-P energy: -92.384
bonds (distance) P-C4' energy: -105.143
flat angles C4'-P-C4' energy: -111.112
flat angles P-C4'-P energy: -62.750
tors. eta vs tors. theta energy: -121.716
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: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1345.041826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.041826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.041826 (E_RNA)
where:
Base-Base interactions energy: -879.537
where: short stacking energy: -385.808
Base-Backbone interact. energy: 0.070
local terms energy: -465.574146
where:
bonds (distance) C4'-P energy: -97.800
bonds (distance) P-C4' energy: -101.850
flat angles C4'-P-C4' energy: -112.262
flat angles P-C4'-P energy: -71.393
tors. eta vs tors. theta energy: -82.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1246.753602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.753602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.753602 (E_RNA)
where:
Base-Base interactions energy: -838.632
where: short stacking energy: -374.402
Base-Backbone interact. energy: 4.177
local terms energy: -412.299225
where:
bonds (distance) C4'-P energy: -79.760
bonds (distance) P-C4' energy: -85.451
flat angles C4'-P-C4' energy: -75.470
flat angles P-C4'-P energy: -77.647
tors. eta vs tors. theta energy: -93.972
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: 8, replica: 9
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1184.601461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.601461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.601461 (E_RNA)
where:
Base-Base interactions energy: -796.585
where: short stacking energy: -334.040
Base-Backbone interact. energy: 2.814
local terms energy: -390.830072
where:
bonds (distance) C4'-P energy: -73.247
bonds (distance) P-C4' energy: -106.113
flat angles C4'-P-C4' energy: -85.316
flat angles P-C4'-P energy: -54.919
tors. eta vs tors. theta energy: -71.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -795.305388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.305388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.305388 (E_RNA)
where:
Base-Base interactions energy: -448.837
where: short stacking energy: -228.938
Base-Backbone interact. energy: -0.527
local terms energy: -345.940780
where:
bonds (distance) C4'-P energy: -81.847
bonds (distance) P-C4' energy: -104.200
flat angles C4'-P-C4' energy: -79.481
flat angles P-C4'-P energy: -60.466
tors. eta vs tors. theta energy: -19.947
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: 106
Temperature: 1.350000
Total energy: -490.227518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.227518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.227518 (E_RNA)
where:
Base-Base interactions energy: -229.104
where: short stacking energy: -160.896
Base-Backbone interact. energy: 4.609
local terms energy: -265.732503
where:
bonds (distance) C4'-P energy: -75.104
bonds (distance) P-C4' energy: -94.971
flat angles C4'-P-C4' energy: -75.924
flat angles P-C4'-P energy: -33.059
tors. eta vs tors. theta energy: 13.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1847.068521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.068521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.068521 (E_RNA)
where:
Base-Base interactions energy: -1261.369
where: short stacking energy: -552.167
Base-Backbone interact. energy: -4.250
local terms energy: -581.449553
where:
bonds (distance) C4'-P energy: -96.260
bonds (distance) P-C4' energy: -114.234
flat angles C4'-P-C4' energy: -132.562
flat angles P-C4'-P energy: -78.509
tors. eta vs tors. theta energy: -159.884
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: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1737.728969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.728969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.728969 (E_RNA)
where:
Base-Base interactions energy: -1188.783
where: short stacking energy: -489.711
Base-Backbone interact. energy: -9.487
local terms energy: -539.458188
where:
bonds (distance) C4'-P energy: -100.111
bonds (distance) P-C4' energy: -106.633
flat angles C4'-P-C4' energy: -116.124
flat angles P-C4'-P energy: -74.916
tors. eta vs tors. theta energy: -141.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1657.591985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.591985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.591985 (E_RNA)
where:
Base-Base interactions energy: -1104.303
where: short stacking energy: -482.177
Base-Backbone interact. energy: -0.092
local terms energy: -553.196815
where:
bonds (distance) C4'-P energy: -105.405
bonds (distance) P-C4' energy: -110.895
flat angles C4'-P-C4' energy: -122.259
flat angles P-C4'-P energy: -78.803
tors. eta vs tors. theta energy: -135.835
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: 107
Temperature: 1.050000
Total energy: -1542.941008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.941008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.941008 (E_RNA)
where:
Base-Base interactions energy: -1007.613
where: short stacking energy: -441.958
Base-Backbone interact. energy: -0.351
local terms energy: -534.976730
where:
bonds (distance) C4'-P energy: -111.832
bonds (distance) P-C4' energy: -91.400
flat angles C4'-P-C4' energy: -121.547
flat angles P-C4'-P energy: -75.602
tors. eta vs tors. theta energy: -134.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1448.573313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.573313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.573313 (E_RNA)
where:
Base-Base interactions energy: -968.878
where: short stacking energy: -445.025
Base-Backbone interact. energy: -2.995
local terms energy: -476.700408
where:
bonds (distance) C4'-P energy: -83.404
bonds (distance) P-C4' energy: -103.178
flat angles C4'-P-C4' energy: -104.730
flat angles P-C4'-P energy: -65.068
tors. eta vs tors. theta energy: -120.321
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: 8
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1294.261891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.261891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.261891 (E_RNA)
where:
Base-Base interactions energy: -851.398
where: short stacking energy: -369.226
Base-Backbone interact. energy: 4.322
local terms energy: -447.186158
where:
bonds (distance) C4'-P energy: -99.055
bonds (distance) P-C4' energy: -101.078
flat angles C4'-P-C4' energy: -107.066
flat angles P-C4'-P energy: -56.603
tors. eta vs tors. theta energy: -83.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1213.750176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.750176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.750176 (E_RNA)
where:
Base-Base interactions energy: -782.941
where: short stacking energy: -326.040
Base-Backbone interact. energy: -1.080
local terms energy: -429.729275
where:
bonds (distance) C4'-P energy: -86.308
bonds (distance) P-C4' energy: -105.823
flat angles C4'-P-C4' energy: -104.907
flat angles P-C4'-P energy: -53.730
tors. eta vs tors. theta energy: -78.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1215.315599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.315599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.315599 (E_RNA)
where:
Base-Base interactions energy: -789.861
where: short stacking energy: -345.162
Base-Backbone interact. energy: -2.506
local terms energy: -422.949344
where:
bonds (distance) C4'-P energy: -83.619
bonds (distance) P-C4' energy: -104.790
flat angles C4'-P-C4' energy: -108.546
flat angles P-C4'-P energy: -54.742
tors. eta vs tors. theta energy: -71.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -815.257437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.257437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.257437 (E_RNA)
where:
Base-Base interactions energy: -482.145
where: short stacking energy: -237.816
Base-Backbone interact. energy: 2.522
local terms energy: -335.634787
where:
bonds (distance) C4'-P energy: -67.928
bonds (distance) P-C4' energy: -98.381
flat angles C4'-P-C4' energy: -81.587
flat angles P-C4'-P energy: -44.579
tors. eta vs tors. theta energy: -43.160
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: 107
Temperature: 1.350000
Total energy: -502.772319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.772319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.772319 (E_RNA)
where:
Base-Base interactions energy: -239.369
where: short stacking energy: -136.358
Base-Backbone interact. energy: -2.491
local terms energy: -260.912706
where:
bonds (distance) C4'-P energy: -74.740
bonds (distance) P-C4' energy: -95.573
flat angles C4'-P-C4' energy: -75.465
flat angles P-C4'-P energy: -37.759
tors. eta vs tors. theta energy: 22.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1836.221302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.221302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.221302 (E_RNA)
where:
Base-Base interactions energy: -1283.864
where: short stacking energy: -565.722
Base-Backbone interact. energy: -0.713
local terms energy: -551.644769
where:
bonds (distance) C4'-P energy: -102.578
bonds (distance) P-C4' energy: -94.758
flat angles C4'-P-C4' energy: -113.684
flat angles P-C4'-P energy: -80.371
tors. eta vs tors. theta energy: -160.255
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: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1739.079280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.079280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.079280 (E_RNA)
where:
Base-Base interactions energy: -1206.562
where: short stacking energy: -517.479
Base-Backbone interact. energy: -2.114
local terms energy: -530.403319
where:
bonds (distance) C4'-P energy: -92.920
bonds (distance) P-C4' energy: -108.376
flat angles C4'-P-C4' energy: -112.956
flat angles P-C4'-P energy: -79.013
tors. eta vs tors. theta energy: -137.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1669.288032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.288032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.288032 (E_RNA)
where:
Base-Base interactions energy: -1123.781
where: short stacking energy: -501.665
Base-Backbone interact. energy: -2.222
local terms energy: -543.284217
where:
bonds (distance) C4'-P energy: -98.837
bonds (distance) P-C4' energy: -111.994
flat angles C4'-P-C4' energy: -116.201
flat angles P-C4'-P energy: -70.202
tors. eta vs tors. theta energy: -146.051
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: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1535.157414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.157414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.157414 (E_RNA)
where:
Base-Base interactions energy: -1002.164
where: short stacking energy: -430.155
Base-Backbone interact. energy: -2.047
local terms energy: -530.946266
where:
bonds (distance) C4'-P energy: -108.796
bonds (distance) P-C4' energy: -105.238
flat angles C4'-P-C4' energy: -114.996
flat angles P-C4'-P energy: -73.218
tors. eta vs tors. theta energy: -128.699
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: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1456.291070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.291070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.291070 (E_RNA)
where:
Base-Base interactions energy: -960.473
where: short stacking energy: -409.218
Base-Backbone interact. energy: -3.214
local terms energy: -492.604140
where:
bonds (distance) C4'-P energy: -108.241
bonds (distance) P-C4' energy: -92.145
flat angles C4'-P-C4' energy: -107.644
flat angles P-C4'-P energy: -74.090
tors. eta vs tors. theta energy: -110.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1318.816898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.816898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.816898 (E_RNA)
where:
Base-Base interactions energy: -883.076
where: short stacking energy: -378.274
Base-Backbone interact. energy: -2.775
local terms energy: -432.966102
where:
bonds (distance) C4'-P energy: -92.925
bonds (distance) P-C4' energy: -90.535
flat angles C4'-P-C4' energy: -112.248
flat angles P-C4'-P energy: -46.598
tors. eta vs tors. theta energy: -90.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1199.490810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.490810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.490810 (E_RNA)
where:
Base-Base interactions energy: -769.188
where: short stacking energy: -319.933
Base-Backbone interact. energy: 0.279
local terms energy: -430.582412
where:
bonds (distance) C4'-P energy: -102.651
bonds (distance) P-C4' energy: -94.954
flat angles C4'-P-C4' energy: -94.801
flat angles P-C4'-P energy: -67.510
tors. eta vs tors. theta energy: -70.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1158.238466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.238466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.238466 (E_RNA)
where:
Base-Base interactions energy: -748.554
where: short stacking energy: -331.546
Base-Backbone interact. energy: -0.864
local terms energy: -408.820094
where:
bonds (distance) C4'-P energy: -84.254
bonds (distance) P-C4' energy: -94.548
flat angles C4'-P-C4' energy: -101.877
flat angles P-C4'-P energy: -59.280
tors. eta vs tors. theta energy: -68.861
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: 9, replica: 3
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -875.683613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.683613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.683613 (E_RNA)
where:
Base-Base interactions energy: -510.035
where: short stacking energy: -241.314
Base-Backbone interact. energy: -0.751
local terms energy: -364.897712
where:
bonds (distance) C4'-P energy: -97.167
bonds (distance) P-C4' energy: -100.435
flat angles C4'-P-C4' energy: -73.578
flat angles P-C4'-P energy: -59.363
tors. eta vs tors. theta energy: -34.355
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: 108
Temperature: 1.350000
Total energy: -551.590650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.590650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.590650 (E_RNA)
where:
Base-Base interactions energy: -262.667
where: short stacking energy: -153.493
Base-Backbone interact. energy: 1.850
local terms energy: -290.773759
where:
bonds (distance) C4'-P energy: -75.843
bonds (distance) P-C4' energy: -95.852
flat angles C4'-P-C4' energy: -66.393
flat angles P-C4'-P energy: -54.571
tors. eta vs tors. theta energy: 1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1829.200922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.200922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.200922 (E_RNA)
where:
Base-Base interactions energy: -1275.163
where: short stacking energy: -552.221
Base-Backbone interact. energy: -4.878
local terms energy: -549.159200
where:
bonds (distance) C4'-P energy: -95.040
bonds (distance) P-C4' energy: -109.765
flat angles C4'-P-C4' energy: -123.677
flat angles P-C4'-P energy: -68.233
tors. eta vs tors. theta energy: -152.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1722.382480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.382480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.382480 (E_RNA)
where:
Base-Base interactions energy: -1169.391
where: short stacking energy: -517.365
Base-Backbone interact. energy: -2.061
local terms energy: -550.931193
where:
bonds (distance) C4'-P energy: -101.714
bonds (distance) P-C4' energy: -107.029
flat angles C4'-P-C4' energy: -114.930
flat angles P-C4'-P energy: -87.103
tors. eta vs tors. theta energy: -140.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1699.038788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.038788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.038788 (E_RNA)
where:
Base-Base interactions energy: -1170.080
where: short stacking energy: -532.478
Base-Backbone interact. energy: -4.493
local terms energy: -524.465713
where:
bonds (distance) C4'-P energy: -101.719
bonds (distance) P-C4' energy: -90.361
flat angles C4'-P-C4' energy: -114.736
flat angles P-C4'-P energy: -79.554
tors. eta vs tors. theta energy: -138.096
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: 5
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1517.942657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.942657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.942657 (E_RNA)
where:
Base-Base interactions energy: -1012.953
where: short stacking energy: -446.561
Base-Backbone interact. energy: -2.165
local terms energy: -502.824355
where:
bonds (distance) C4'-P energy: -98.583
bonds (distance) P-C4' energy: -109.055
flat angles C4'-P-C4' energy: -104.058
flat angles P-C4'-P energy: -76.868
tors. eta vs tors. theta energy: -114.261
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: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1441.726456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.726456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.726456 (E_RNA)
where:
Base-Base interactions energy: -946.632
where: short stacking energy: -395.967
Base-Backbone interact. energy: -2.026
local terms energy: -493.068132
where:
bonds (distance) C4'-P energy: -106.295
bonds (distance) P-C4' energy: -106.303
flat angles C4'-P-C4' energy: -98.908
flat angles P-C4'-P energy: -73.954
tors. eta vs tors. theta energy: -107.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1314.157361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.157361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.157361 (E_RNA)
where:
Base-Base interactions energy: -865.868
where: short stacking energy: -400.711
Base-Backbone interact. energy: -0.732
local terms energy: -447.557756
where:
bonds (distance) C4'-P energy: -87.402
bonds (distance) P-C4' energy: -111.296
flat angles C4'-P-C4' energy: -98.700
flat angles P-C4'-P energy: -64.156
tors. eta vs tors. theta energy: -86.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1234.814972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.814972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.814972 (E_RNA)
where:
Base-Base interactions energy: -831.528
where: short stacking energy: -341.832
Base-Backbone interact. energy: -2.403
local terms energy: -400.883999
where:
bonds (distance) C4'-P energy: -82.039
bonds (distance) P-C4' energy: -92.104
flat angles C4'-P-C4' energy: -103.119
flat angles P-C4'-P energy: -58.281
tors. eta vs tors. theta energy: -65.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1140.582145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.582145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.582145 (E_RNA)
where:
Base-Base interactions energy: -732.457
where: short stacking energy: -323.716
Base-Backbone interact. energy: -0.434
local terms energy: -407.691912
where:
bonds (distance) C4'-P energy: -84.634
bonds (distance) P-C4' energy: -101.131
flat angles C4'-P-C4' energy: -87.984
flat angles P-C4'-P energy: -70.615
tors. eta vs tors. theta energy: -63.329
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: 3
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -856.975743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.975743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.975743 (E_RNA)
where:
Base-Base interactions energy: -510.616
where: short stacking energy: -239.434
Base-Backbone interact. energy: -1.728
local terms energy: -344.632076
where:
bonds (distance) C4'-P energy: -67.657
bonds (distance) P-C4' energy: -87.393
flat angles C4'-P-C4' energy: -96.627
flat angles P-C4'-P energy: -53.756
tors. eta vs tors. theta energy: -39.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -564.021425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.021425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.021425 (E_RNA)
where:
Base-Base interactions energy: -269.955
where: short stacking energy: -154.834
Base-Backbone interact. energy: -2.235
local terms energy: -291.831172
where:
bonds (distance) C4'-P energy: -76.905
bonds (distance) P-C4' energy: -95.755
flat angles C4'-P-C4' energy: -61.619
flat angles P-C4'-P energy: -49.864
tors. eta vs tors. theta energy: -7.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1845.066586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.066586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.066586 (E_RNA)
where:
Base-Base interactions energy: -1261.972
where: short stacking energy: -542.784
Base-Backbone interact. energy: -5.914
local terms energy: -577.180034
where:
bonds (distance) C4'-P energy: -111.047
bonds (distance) P-C4' energy: -93.742
flat angles C4'-P-C4' energy: -131.514
flat angles P-C4'-P energy: -88.962
tors. eta vs tors. theta energy: -151.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1687.951079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.951079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.951079 (E_RNA)
where:
Base-Base interactions energy: -1146.556
where: short stacking energy: -496.367
Base-Backbone interact. energy: 1.686
local terms energy: -543.080467
where:
bonds (distance) C4'-P energy: -93.728
bonds (distance) P-C4' energy: -98.677
flat angles C4'-P-C4' energy: -124.472
flat angles P-C4'-P energy: -84.497
tors. eta vs tors. theta energy: -141.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1711.156686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.156686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.156686 (E_RNA)
where:
Base-Base interactions energy: -1182.022
where: short stacking energy: -501.506
Base-Backbone interact. energy: 1.420
local terms energy: -530.554412
where:
bonds (distance) C4'-P energy: -101.253
bonds (distance) P-C4' energy: -97.394
flat angles C4'-P-C4' energy: -119.458
flat angles P-C4'-P energy: -76.577
tors. eta vs tors. theta energy: -135.872
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: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1552.827899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.827899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.827899 (E_RNA)
where:
Base-Base interactions energy: -1015.965
where: short stacking energy: -463.934
Base-Backbone interact. energy: -2.294
local terms energy: -534.569792
where:
bonds (distance) C4'-P energy: -102.715
bonds (distance) P-C4' energy: -104.320
flat angles C4'-P-C4' energy: -111.046
flat angles P-C4'-P energy: -81.892
tors. eta vs tors. theta energy: -134.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1417.897674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.897674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.897674 (E_RNA)
where:
Base-Base interactions energy: -931.709
where: short stacking energy: -420.998
Base-Backbone interact. energy: 2.830
local terms energy: -489.018350
where:
bonds (distance) C4'-P energy: -104.435
bonds (distance) P-C4' energy: -100.423
flat angles C4'-P-C4' energy: -110.199
flat angles P-C4'-P energy: -58.955
tors. eta vs tors. theta energy: -115.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1338.248740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.248740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.248740 (E_RNA)
where:
Base-Base interactions energy: -871.198
where: short stacking energy: -376.735
Base-Backbone interact. energy: -1.900
local terms energy: -465.150319
where:
bonds (distance) C4'-P energy: -96.766
bonds (distance) P-C4' energy: -95.693
flat angles C4'-P-C4' energy: -106.801
flat angles P-C4'-P energy: -73.148
tors. eta vs tors. theta energy: -92.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1240.025080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.025080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.025080 (E_RNA)
where:
Base-Base interactions energy: -802.738
where: short stacking energy: -365.057
Base-Backbone interact. energy: 0.980
local terms energy: -438.266756
where:
bonds (distance) C4'-P energy: -81.432
bonds (distance) P-C4' energy: -109.747
flat angles C4'-P-C4' energy: -83.854
flat angles P-C4'-P energy: -83.521
tors. eta vs tors. theta energy: -79.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1160.398117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.398117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.398117 (E_RNA)
where:
Base-Base interactions energy: -795.567
where: short stacking energy: -348.655
Base-Backbone interact. energy: -0.465
local terms energy: -364.366387
where:
bonds (distance) C4'-P energy: -61.320
bonds (distance) P-C4' energy: -98.094
flat angles C4'-P-C4' energy: -91.237
flat angles P-C4'-P energy: -52.589
tors. eta vs tors. theta energy: -61.127
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: 3
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -891.245359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.245359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.245359 (E_RNA)
where:
Base-Base interactions energy: -507.873
where: short stacking energy: -242.846
Base-Backbone interact. energy: -0.346
local terms energy: -383.025570
where:
bonds (distance) C4'-P energy: -97.767
bonds (distance) P-C4' energy: -99.176
flat angles C4'-P-C4' energy: -83.862
flat angles P-C4'-P energy: -53.739
tors. eta vs tors. theta energy: -48.482
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: 110
Temperature: 1.350000
Total energy: -566.823588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.823588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.823588 (E_RNA)
where:
Base-Base interactions energy: -264.046
where: short stacking energy: -153.720
Base-Backbone interact. energy: -0.494
local terms energy: -302.282719
where:
bonds (distance) C4'-P energy: -94.721
bonds (distance) P-C4' energy: -78.519
flat angles C4'-P-C4' energy: -80.757
flat angles P-C4'-P energy: -44.663
tors. eta vs tors. theta energy: -3.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1841.343067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.343067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.343067 (E_RNA)
where:
Base-Base interactions energy: -1261.151
where: short stacking energy: -515.977
Base-Backbone interact. energy: -2.936
local terms energy: -577.255956
where:
bonds (distance) C4'-P energy: -99.889
bonds (distance) P-C4' energy: -111.857
flat angles C4'-P-C4' energy: -129.672
flat angles P-C4'-P energy: -83.363
tors. eta vs tors. theta energy: -152.475
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: 1
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1722.751437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.751437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.751437 (E_RNA)
where:
Base-Base interactions energy: -1185.036
where: short stacking energy: -493.035
Base-Backbone interact. energy: -6.310
local terms energy: -531.405626
where:
bonds (distance) C4'-P energy: -97.064
bonds (distance) P-C4' energy: -111.846
flat angles C4'-P-C4' energy: -119.578
flat angles P-C4'-P energy: -66.984
tors. eta vs tors. theta energy: -135.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1640.554463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.554463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.554463 (E_RNA)
where:
Base-Base interactions energy: -1120.787
where: short stacking energy: -485.254
Base-Backbone interact. energy: -2.862
local terms energy: -516.905279
where:
bonds (distance) C4'-P energy: -106.406
bonds (distance) P-C4' energy: -95.849
flat angles C4'-P-C4' energy: -115.972
flat angles P-C4'-P energy: -78.054
tors. eta vs tors. theta energy: -120.624
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: 4, replica: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1584.482885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.482885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.482885 (E_RNA)
where:
Base-Base interactions energy: -1066.864
where: short stacking energy: -483.437
Base-Backbone interact. energy: -1.836
local terms energy: -515.782546
where:
bonds (distance) C4'-P energy: -100.230
bonds (distance) P-C4' energy: -100.018
flat angles C4'-P-C4' energy: -104.867
flat angles P-C4'-P energy: -74.127
tors. eta vs tors. theta energy: -136.541
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: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1445.572344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.572344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.572344 (E_RNA)
where:
Base-Base interactions energy: -955.401
where: short stacking energy: -453.831
Base-Backbone interact. energy: -0.929
local terms energy: -489.242119
where:
bonds (distance) C4'-P energy: -89.750
bonds (distance) P-C4' energy: -100.045
flat angles C4'-P-C4' energy: -99.909
flat angles P-C4'-P energy: -75.262
tors. eta vs tors. theta energy: -124.275
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: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1319.692416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.692416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.692416 (E_RNA)
where:
Base-Base interactions energy: -872.555
where: short stacking energy: -373.754
Base-Backbone interact. energy: -2.308
local terms energy: -444.830326
where:
bonds (distance) C4'-P energy: -107.533
bonds (distance) P-C4' energy: -82.122
flat angles C4'-P-C4' energy: -98.632
flat angles P-C4'-P energy: -70.055
tors. eta vs tors. theta energy: -86.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1280.448755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.448755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.448755 (E_RNA)
where:
Base-Base interactions energy: -833.280
where: short stacking energy: -375.759
Base-Backbone interact. energy: -0.947
local terms energy: -446.221045
where:
bonds (distance) C4'-P energy: -91.455
bonds (distance) P-C4' energy: -99.500
flat angles C4'-P-C4' energy: -95.568
flat angles P-C4'-P energy: -62.659
tors. eta vs tors. theta energy: -97.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1121.103820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.103820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.103820 (E_RNA)
where:
Base-Base interactions energy: -724.000
where: short stacking energy: -296.953
Base-Backbone interact. energy: -2.245
local terms energy: -394.858756
where:
bonds (distance) C4'-P energy: -77.521
bonds (distance) P-C4' energy: -89.680
flat angles C4'-P-C4' energy: -104.124
flat angles P-C4'-P energy: -50.415
tors. eta vs tors. theta energy: -73.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -909.599031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.599031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.599031 (E_RNA)
where:
Base-Base interactions energy: -533.076
where: short stacking energy: -264.992
Base-Backbone interact. energy: -1.534
local terms energy: -374.989470
where:
bonds (distance) C4'-P energy: -98.106
bonds (distance) P-C4' energy: -92.218
flat angles C4'-P-C4' energy: -89.379
flat angles P-C4'-P energy: -47.097
tors. eta vs tors. theta energy: -48.189
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: 10, replica: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -463.382167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.382167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.382167 (E_RNA)
where:
Base-Base interactions energy: -187.930
where: short stacking energy: -141.377
Base-Backbone interact. energy: 3.727
local terms energy: -279.179481
where:
bonds (distance) C4'-P energy: -89.905
bonds (distance) P-C4' energy: -89.525
flat angles C4'-P-C4' energy: -72.701
flat angles P-C4'-P energy: -33.508
tors. eta vs tors. theta energy: 6.460
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: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1815.762178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.762178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.762178 (E_RNA)
where:
Base-Base interactions energy: -1264.491
where: short stacking energy: -519.585
Base-Backbone interact. energy: -7.471
local terms energy: -543.800248
where:
bonds (distance) C4'-P energy: -108.853
bonds (distance) P-C4' energy: -92.897
flat angles C4'-P-C4' energy: -125.554
flat angles P-C4'-P energy: -73.667
tors. eta vs tors. theta energy: -142.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1757.101267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.101267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.101267 (E_RNA)
where:
Base-Base interactions energy: -1192.860
where: short stacking energy: -519.251
Base-Backbone interact. energy: -4.414
local terms energy: -559.827123
where:
bonds (distance) C4'-P energy: -95.777
bonds (distance) P-C4' energy: -109.690
flat angles C4'-P-C4' energy: -117.335
flat angles P-C4'-P energy: -86.825
tors. eta vs tors. theta energy: -150.200
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: 7
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1652.838784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.838784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.838784 (E_RNA)
where:
Base-Base interactions energy: -1123.186
where: short stacking energy: -479.795
Base-Backbone interact. energy: -6.074
local terms energy: -523.578280
where:
bonds (distance) C4'-P energy: -99.763
bonds (distance) P-C4' energy: -98.318
flat angles C4'-P-C4' energy: -117.405
flat angles P-C4'-P energy: -76.129
tors. eta vs tors. theta energy: -131.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1545.659243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.659243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.659243 (E_RNA)
where:
Base-Base interactions energy: -1016.774
where: short stacking energy: -454.477
Base-Backbone interact. energy: 2.734
local terms energy: -531.618771
where:
bonds (distance) C4'-P energy: -97.042
bonds (distance) P-C4' energy: -101.003
flat angles C4'-P-C4' energy: -117.120
flat angles P-C4'-P energy: -88.131
tors. eta vs tors. theta energy: -128.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1382.962202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.962202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.962202 (E_RNA)
where:
Base-Base interactions energy: -920.009
where: short stacking energy: -393.195
Base-Backbone interact. energy: 0.558
local terms energy: -463.511055
where:
bonds (distance) C4'-P energy: -80.529
bonds (distance) P-C4' energy: -92.580
flat angles C4'-P-C4' energy: -106.131
flat angles P-C4'-P energy: -76.212
tors. eta vs tors. theta energy: -108.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1322.885435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.885435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.885435 (E_RNA)
where:
Base-Base interactions energy: -857.374
where: short stacking energy: -390.978
Base-Backbone interact. energy: -1.945
local terms energy: -463.566302
where:
bonds (distance) C4'-P energy: -91.102
bonds (distance) P-C4' energy: -99.398
flat angles C4'-P-C4' energy: -103.013
flat angles P-C4'-P energy: -73.058
tors. eta vs tors. theta energy: -96.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1240.824904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.824904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.824904 (E_RNA)
where:
Base-Base interactions energy: -817.725
where: short stacking energy: -361.413
Base-Backbone interact. energy: 2.875
local terms energy: -425.975436
where:
bonds (distance) C4'-P energy: -93.678
bonds (distance) P-C4' energy: -83.466
flat angles C4'-P-C4' energy: -105.477
flat angles P-C4'-P energy: -61.772
tors. eta vs tors. theta energy: -81.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1120.644071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.644071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.644071 (E_RNA)
where:
Base-Base interactions energy: -744.226
where: short stacking energy: -323.641
Base-Backbone interact. energy: 4.597
local terms energy: -381.014723
where:
bonds (distance) C4'-P energy: -83.134
bonds (distance) P-C4' energy: -91.503
flat angles C4'-P-C4' energy: -83.738
flat angles P-C4'-P energy: -58.251
tors. eta vs tors. theta energy: -64.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -832.034797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.034797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.034797 (E_RNA)
where:
Base-Base interactions energy: -483.629
where: short stacking energy: -251.174
Base-Backbone interact. energy: -1.397
local terms energy: -347.008364
where:
bonds (distance) C4'-P energy: -79.288
bonds (distance) P-C4' energy: -87.366
flat angles C4'-P-C4' energy: -93.281
flat angles P-C4'-P energy: -56.217
tors. eta vs tors. theta energy: -30.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -491.968354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.968354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.968354 (E_RNA)
where:
Base-Base interactions energy: -222.761
where: short stacking energy: -174.033
Base-Backbone interact. energy: 5.194
local terms energy: -274.401472
where:
bonds (distance) C4'-P energy: -90.858
bonds (distance) P-C4' energy: -76.155
flat angles C4'-P-C4' energy: -85.104
flat angles P-C4'-P energy: -32.886
tors. eta vs tors. theta energy: 10.602
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: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1851.920477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.920477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.920477 (E_RNA)
where:
Base-Base interactions energy: -1280.293
where: short stacking energy: -529.648
Base-Backbone interact. energy: -9.494
local terms energy: -562.133628
where:
bonds (distance) C4'-P energy: -102.086
bonds (distance) P-C4' energy: -112.630
flat angles C4'-P-C4' energy: -119.050
flat angles P-C4'-P energy: -81.376
tors. eta vs tors. theta energy: -146.991
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: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1733.197396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.197396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.197396 (E_RNA)
where:
Base-Base interactions energy: -1181.889
where: short stacking energy: -504.127
Base-Backbone interact. energy: -1.298
local terms energy: -550.010291
where:
bonds (distance) C4'-P energy: -106.126
bonds (distance) P-C4' energy: -120.585
flat angles C4'-P-C4' energy: -105.127
flat angles P-C4'-P energy: -82.647
tors. eta vs tors. theta energy: -135.525
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: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1660.903501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.903501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.903501 (E_RNA)
where:
Base-Base interactions energy: -1115.890
where: short stacking energy: -491.006
Base-Backbone interact. energy: -3.235
local terms energy: -541.778399
where:
bonds (distance) C4'-P energy: -112.617
bonds (distance) P-C4' energy: -106.350
flat angles C4'-P-C4' energy: -101.892
flat angles P-C4'-P energy: -74.299
tors. eta vs tors. theta energy: -146.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1581.674273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.674273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.674273 (E_RNA)
where:
Base-Base interactions energy: -1039.641
where: short stacking energy: -494.436
Base-Backbone interact. energy: -1.849
local terms energy: -540.183782
where:
bonds (distance) C4'-P energy: -106.493
bonds (distance) P-C4' energy: -104.751
flat angles C4'-P-C4' energy: -105.731
flat angles P-C4'-P energy: -75.608
tors. eta vs tors. theta energy: -147.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1401.068907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.068907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.068907 (E_RNA)
where:
Base-Base interactions energy: -935.418
where: short stacking energy: -410.131
Base-Backbone interact. energy: -4.466
local terms energy: -461.185321
where:
bonds (distance) C4'-P energy: -81.894
bonds (distance) P-C4' energy: -106.317
flat angles C4'-P-C4' energy: -102.442
flat angles P-C4'-P energy: -59.430
tors. eta vs tors. theta energy: -111.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1366.111616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.111616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.111616 (E_RNA)
where:
Base-Base interactions energy: -895.332
where: short stacking energy: -394.042
Base-Backbone interact. energy: 1.727
local terms energy: -472.506327
where:
bonds (distance) C4'-P energy: -94.910
bonds (distance) P-C4' energy: -105.322
flat angles C4'-P-C4' energy: -102.142
flat angles P-C4'-P energy: -71.035
tors. eta vs tors. theta energy: -99.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1228.207077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.207077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.207077 (E_RNA)
where:
Base-Base interactions energy: -797.433
where: short stacking energy: -344.088
Base-Backbone interact. energy: -0.114
local terms energy: -430.659829
where:
bonds (distance) C4'-P energy: -88.630
bonds (distance) P-C4' energy: -99.854
flat angles C4'-P-C4' energy: -110.968
flat angles P-C4'-P energy: -51.648
tors. eta vs tors. theta energy: -79.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1122.146359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.146359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.146359 (E_RNA)
where:
Base-Base interactions energy: -722.413
where: short stacking energy: -301.185
Base-Backbone interact. energy: 0.492
local terms energy: -400.225008
where:
bonds (distance) C4'-P energy: -88.588
bonds (distance) P-C4' energy: -91.400
flat angles C4'-P-C4' energy: -97.402
flat angles P-C4'-P energy: -68.442
tors. eta vs tors. theta energy: -54.393
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: 9, replica: 3
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -837.396774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.396774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.396774 (E_RNA)
where:
Base-Base interactions energy: -495.081
where: short stacking energy: -258.934
Base-Backbone interact. energy: -0.764
local terms energy: -341.551649
where:
bonds (distance) C4'-P energy: -81.368
bonds (distance) P-C4' energy: -87.029
flat angles C4'-P-C4' energy: -85.206
flat angles P-C4'-P energy: -63.935
tors. eta vs tors. theta energy: -24.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -493.036050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.036050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.036050 (E_RNA)
where:
Base-Base interactions energy: -221.999
where: short stacking energy: -160.168
Base-Backbone interact. energy: 1.025
local terms energy: -272.062566
where:
bonds (distance) C4'-P energy: -80.101
bonds (distance) P-C4' energy: -91.245
flat angles C4'-P-C4' energy: -64.972
flat angles P-C4'-P energy: -47.691
tors. eta vs tors. theta energy: 11.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1834.236238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.236238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.236238 (E_RNA)
where:
Base-Base interactions energy: -1265.563
where: short stacking energy: -545.424
Base-Backbone interact. energy: -2.014
local terms energy: -566.659824
where:
bonds (distance) C4'-P energy: -102.233
bonds (distance) P-C4' energy: -111.070
flat angles C4'-P-C4' energy: -119.120
flat angles P-C4'-P energy: -79.908
tors. eta vs tors. theta energy: -154.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1703.100028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.100028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.100028 (E_RNA)
where:
Base-Base interactions energy: -1161.706
where: short stacking energy: -474.473
Base-Backbone interact. energy: -1.945
local terms energy: -539.448802
where:
bonds (distance) C4'-P energy: -108.049
bonds (distance) P-C4' energy: -106.179
flat angles C4'-P-C4' energy: -108.369
flat angles P-C4'-P energy: -88.497
tors. eta vs tors. theta energy: -128.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1579.230105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.230105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.230105 (E_RNA)
where:
Base-Base interactions energy: -1062.395
where: short stacking energy: -460.362
Base-Backbone interact. energy: -0.462
local terms energy: -516.372705
where:
bonds (distance) C4'-P energy: -105.065
bonds (distance) P-C4' energy: -95.615
flat angles C4'-P-C4' energy: -105.123
flat angles P-C4'-P energy: -86.810
tors. eta vs tors. theta energy: -123.759
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: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1537.168365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.168365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.168365 (E_RNA)
where:
Base-Base interactions energy: -1021.007
where: short stacking energy: -468.547
Base-Backbone interact. energy: -4.685
local terms energy: -511.476226
where:
bonds (distance) C4'-P energy: -90.175
bonds (distance) P-C4' energy: -95.309
flat angles C4'-P-C4' energy: -119.852
flat angles P-C4'-P energy: -73.908
tors. eta vs tors. theta energy: -132.232
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: 114
Temperature: 1.100000
Total energy: -1464.186355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.186355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.186355 (E_RNA)
where:
Base-Base interactions energy: -954.085
where: short stacking energy: -440.850
Base-Backbone interact. energy: 0.476
local terms energy: -510.577484
where:
bonds (distance) C4'-P energy: -88.281
bonds (distance) P-C4' energy: -115.791
flat angles C4'-P-C4' energy: -101.396
flat angles P-C4'-P energy: -83.737
tors. eta vs tors. theta energy: -121.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1304.694527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.694527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.694527 (E_RNA)
where:
Base-Base interactions energy: -866.689
where: short stacking energy: -353.502
Base-Backbone interact. energy: -1.572
local terms energy: -436.433720
where:
bonds (distance) C4'-P energy: -92.694
bonds (distance) P-C4' energy: -92.895
flat angles C4'-P-C4' energy: -101.332
flat angles P-C4'-P energy: -63.784
tors. eta vs tors. theta energy: -85.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1213.744561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.744561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.744561 (E_RNA)
where:
Base-Base interactions energy: -769.138
where: short stacking energy: -349.090
Base-Backbone interact. energy: -1.331
local terms energy: -443.276409
where:
bonds (distance) C4'-P energy: -94.591
bonds (distance) P-C4' energy: -98.493
flat angles C4'-P-C4' energy: -101.346
flat angles P-C4'-P energy: -66.883
tors. eta vs tors. theta energy: -81.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1148.320890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.320890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.320890 (E_RNA)
where:
Base-Base interactions energy: -756.017
where: short stacking energy: -326.451
Base-Backbone interact. energy: 0.839
local terms energy: -393.142730
where:
bonds (distance) C4'-P energy: -60.593
bonds (distance) P-C4' energy: -101.404
flat angles C4'-P-C4' energy: -105.613
flat angles P-C4'-P energy: -51.248
tors. eta vs tors. theta energy: -74.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -784.053961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.053961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.053961 (E_RNA)
where:
Base-Base interactions energy: -434.711
where: short stacking energy: -211.407
Base-Backbone interact. energy: -0.442
local terms energy: -348.900222
where:
bonds (distance) C4'-P energy: -94.993
bonds (distance) P-C4' energy: -95.488
flat angles C4'-P-C4' energy: -65.414
flat angles P-C4'-P energy: -67.687
tors. eta vs tors. theta energy: -25.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -521.601611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.601611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.601611 (E_RNA)
where:
Base-Base interactions energy: -216.709
where: short stacking energy: -133.463
Base-Backbone interact. energy: -0.296
local terms energy: -304.596803
where:
bonds (distance) C4'-P energy: -87.983
bonds (distance) P-C4' energy: -97.104
flat angles C4'-P-C4' energy: -91.484
flat angles P-C4'-P energy: -38.380
tors. eta vs tors. theta energy: 10.355
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: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1845.689247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.689247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.689247 (E_RNA)
where:
Base-Base interactions energy: -1275.278
where: short stacking energy: -528.680
Base-Backbone interact. energy: -3.907
local terms energy: -566.504947
where:
bonds (distance) C4'-P energy: -110.741
bonds (distance) P-C4' energy: -105.212
flat angles C4'-P-C4' energy: -116.526
flat angles P-C4'-P energy: -75.341
tors. eta vs tors. theta energy: -158.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1729.572715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.572715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.572715 (E_RNA)
where:
Base-Base interactions energy: -1172.471
where: short stacking energy: -489.944
Base-Backbone interact. energy: -3.770
local terms energy: -553.332025
where:
bonds (distance) C4'-P energy: -108.586
bonds (distance) P-C4' energy: -115.076
flat angles C4'-P-C4' energy: -112.874
flat angles P-C4'-P energy: -77.436
tors. eta vs tors. theta energy: -139.360
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: 3, replica: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1603.179254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.179254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.179254 (E_RNA)
where:
Base-Base interactions energy: -1098.118
where: short stacking energy: -501.547
Base-Backbone interact. energy: -1.238
local terms energy: -503.823042
where:
bonds (distance) C4'-P energy: -91.572
bonds (distance) P-C4' energy: -111.284
flat angles C4'-P-C4' energy: -96.443
flat angles P-C4'-P energy: -73.889
tors. eta vs tors. theta energy: -130.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1585.586581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.586581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.586581 (E_RNA)
where:
Base-Base interactions energy: -1053.614
where: short stacking energy: -480.055
Base-Backbone interact. energy: 0.198
local terms energy: -532.171089
where:
bonds (distance) C4'-P energy: -108.651
bonds (distance) P-C4' energy: -100.809
flat angles C4'-P-C4' energy: -111.563
flat angles P-C4'-P energy: -72.431
tors. eta vs tors. theta energy: -138.717
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: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1488.238938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.238938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.238938 (E_RNA)
where:
Base-Base interactions energy: -988.461
where: short stacking energy: -421.178
Base-Backbone interact. energy: -4.445
local terms energy: -495.332762
where:
bonds (distance) C4'-P energy: -93.563
bonds (distance) P-C4' energy: -108.824
flat angles C4'-P-C4' energy: -114.498
flat angles P-C4'-P energy: -71.502
tors. eta vs tors. theta energy: -106.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1290.093975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.093975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.093975 (E_RNA)
where:
Base-Base interactions energy: -849.642
where: short stacking energy: -373.359
Base-Backbone interact. energy: -0.708
local terms energy: -439.743989
where:
bonds (distance) C4'-P energy: -90.374
bonds (distance) P-C4' energy: -91.965
flat angles C4'-P-C4' energy: -107.420
flat angles P-C4'-P energy: -65.017
tors. eta vs tors. theta energy: -84.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1340.600377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.600377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.600377 (E_RNA)
where:
Base-Base interactions energy: -870.431
where: short stacking energy: -382.304
Base-Backbone interact. energy: -1.080
local terms energy: -469.089039
where:
bonds (distance) C4'-P energy: -97.149
bonds (distance) P-C4' energy: -98.661
flat angles C4'-P-C4' energy: -105.013
flat angles P-C4'-P energy: -64.596
tors. eta vs tors. theta energy: -103.670
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: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1187.522940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.522940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.522940 (E_RNA)
where:
Base-Base interactions energy: -770.849
where: short stacking energy: -333.084
Base-Backbone interact. energy: -2.416
local terms energy: -414.258382
where:
bonds (distance) C4'-P energy: -82.815
bonds (distance) P-C4' energy: -95.106
flat angles C4'-P-C4' energy: -105.133
flat angles P-C4'-P energy: -60.386
tors. eta vs tors. theta energy: -70.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -807.708635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.708635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.708635 (E_RNA)
where:
Base-Base interactions energy: -473.471
where: short stacking energy: -225.913
Base-Backbone interact. energy: 0.978
local terms energy: -335.215330
where:
bonds (distance) C4'-P energy: -78.397
bonds (distance) P-C4' energy: -95.456
flat angles C4'-P-C4' energy: -80.979
flat angles P-C4'-P energy: -45.825
tors. eta vs tors. theta energy: -34.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -446.735124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.735124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.735124 (E_RNA)
where:
Base-Base interactions energy: -189.536
where: short stacking energy: -132.897
Base-Backbone interact. energy: -1.890
local terms energy: -255.308678
where:
bonds (distance) C4'-P energy: -79.074
bonds (distance) P-C4' energy: -94.543
flat angles C4'-P-C4' energy: -72.278
flat angles P-C4'-P energy: -41.171
tors. eta vs tors. theta energy: 31.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1827.815189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.815189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.815189 (E_RNA)
where:
Base-Base interactions energy: -1258.625
where: short stacking energy: -523.280
Base-Backbone interact. energy: -5.808
local terms energy: -563.382280
where:
bonds (distance) C4'-P energy: -107.161
bonds (distance) P-C4' energy: -114.717
flat angles C4'-P-C4' energy: -117.341
flat angles P-C4'-P energy: -81.875
tors. eta vs tors. theta energy: -142.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1733.730754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.730754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.730754 (E_RNA)
where:
Base-Base interactions energy: -1180.293
where: short stacking energy: -498.050
Base-Backbone interact. energy: -3.203
local terms energy: -550.234655
where:
bonds (distance) C4'-P energy: -106.411
bonds (distance) P-C4' energy: -104.008
flat angles C4'-P-C4' energy: -123.209
flat angles P-C4'-P energy: -79.506
tors. eta vs tors. theta energy: -137.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1558.106222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.106222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.106222 (E_RNA)
where:
Base-Base interactions energy: -1045.257
where: short stacking energy: -451.508
Base-Backbone interact. energy: -0.087
local terms energy: -512.761673
where:
bonds (distance) C4'-P energy: -99.901
bonds (distance) P-C4' energy: -104.444
flat angles C4'-P-C4' energy: -113.122
flat angles P-C4'-P energy: -73.115
tors. eta vs tors. theta energy: -122.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1580.108902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.108902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.108902 (E_RNA)
where:
Base-Base interactions energy: -1062.909
where: short stacking energy: -464.389
Base-Backbone interact. energy: -3.312
local terms energy: -513.888086
where:
bonds (distance) C4'-P energy: -98.027
bonds (distance) P-C4' energy: -114.088
flat angles C4'-P-C4' energy: -102.781
flat angles P-C4'-P energy: -73.657
tors. eta vs tors. theta energy: -125.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1479.955018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.955018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.955018 (E_RNA)
where:
Base-Base interactions energy: -1003.171
where: short stacking energy: -461.462
Base-Backbone interact. energy: -1.937
local terms energy: -474.847107
where:
bonds (distance) C4'-P energy: -94.788
bonds (distance) P-C4' energy: -96.490
flat angles C4'-P-C4' energy: -95.366
flat angles P-C4'-P energy: -61.905
tors. eta vs tors. theta energy: -126.298
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: 9
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1288.676664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.676664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.676664 (E_RNA)
where:
Base-Base interactions energy: -836.242
where: short stacking energy: -369.901
Base-Backbone interact. energy: -3.579
local terms energy: -448.855514
where:
bonds (distance) C4'-P energy: -101.325
bonds (distance) P-C4' energy: -104.404
flat angles C4'-P-C4' energy: -98.127
flat angles P-C4'-P energy: -62.393
tors. eta vs tors. theta energy: -82.605
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: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1284.703331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.703331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.703331 (E_RNA)
where:
Base-Base interactions energy: -850.524
where: short stacking energy: -365.731
Base-Backbone interact. energy: 6.526
local terms energy: -440.705407
where:
bonds (distance) C4'-P energy: -94.099
bonds (distance) P-C4' energy: -92.050
flat angles C4'-P-C4' energy: -98.200
flat angles P-C4'-P energy: -61.653
tors. eta vs tors. theta energy: -94.705
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: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1184.330580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.330580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.330580 (E_RNA)
where:
Base-Base interactions energy: -777.934
where: short stacking energy: -321.301
Base-Backbone interact. energy: 0.300
local terms energy: -406.696550
where:
bonds (distance) C4'-P energy: -89.609
bonds (distance) P-C4' energy: -91.565
flat angles C4'-P-C4' energy: -91.204
flat angles P-C4'-P energy: -72.372
tors. eta vs tors. theta energy: -61.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -850.353953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.353953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.353953 (E_RNA)
where:
Base-Base interactions energy: -505.940
where: short stacking energy: -249.438
Base-Backbone interact. energy: -0.347
local terms energy: -344.066976
where:
bonds (distance) C4'-P energy: -91.172
bonds (distance) P-C4' energy: -81.339
flat angles C4'-P-C4' energy: -72.992
flat angles P-C4'-P energy: -61.985
tors. eta vs tors. theta energy: -36.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -455.883012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.883012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.883012 (E_RNA)
where:
Base-Base interactions energy: -189.802
where: short stacking energy: -141.448
Base-Backbone interact. energy: 1.284
local terms energy: -267.364335
where:
bonds (distance) C4'-P energy: -94.189
bonds (distance) P-C4' energy: -68.486
flat angles C4'-P-C4' energy: -56.749
flat angles P-C4'-P energy: -61.721
tors. eta vs tors. theta energy: 13.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1848.992295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.992295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.992295 (E_RNA)
where:
Base-Base interactions energy: -1282.696
where: short stacking energy: -527.124
Base-Backbone interact. energy: -4.855
local terms energy: -561.440820
where:
bonds (distance) C4'-P energy: -105.976
bonds (distance) P-C4' energy: -99.848
flat angles C4'-P-C4' energy: -126.301
flat angles P-C4'-P energy: -82.596
tors. eta vs tors. theta energy: -146.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1740.552908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.552908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.552908 (E_RNA)
where:
Base-Base interactions energy: -1183.334
where: short stacking energy: -504.531
Base-Backbone interact. energy: -1.323
local terms energy: -555.895042
where:
bonds (distance) C4'-P energy: -115.947
bonds (distance) P-C4' energy: -96.724
flat angles C4'-P-C4' energy: -123.614
flat angles P-C4'-P energy: -80.865
tors. eta vs tors. theta energy: -138.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1608.198697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.198697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.198697 (E_RNA)
where:
Base-Base interactions energy: -1052.771
where: short stacking energy: -470.581
Base-Backbone interact. energy: -3.024
local terms energy: -552.402835
where:
bonds (distance) C4'-P energy: -108.312
bonds (distance) P-C4' energy: -111.817
flat angles C4'-P-C4' energy: -108.777
flat angles P-C4'-P energy: -87.197
tors. eta vs tors. theta energy: -136.301
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: 4, replica: 7
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1570.765457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.765457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.765457 (E_RNA)
where:
Base-Base interactions energy: -1039.934
where: short stacking energy: -470.086
Base-Backbone interact. energy: -2.796
local terms energy: -528.035077
where:
bonds (distance) C4'-P energy: -98.766
bonds (distance) P-C4' energy: -115.633
flat angles C4'-P-C4' energy: -107.295
flat angles P-C4'-P energy: -68.801
tors. eta vs tors. theta energy: -137.539
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: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1414.648669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.648669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.648669 (E_RNA)
where:
Base-Base interactions energy: -930.009
where: short stacking energy: -414.780
Base-Backbone interact. energy: -1.944
local terms energy: -482.696211
where:
bonds (distance) C4'-P energy: -96.345
bonds (distance) P-C4' energy: -91.799
flat angles C4'-P-C4' energy: -111.264
flat angles P-C4'-P energy: -75.657
tors. eta vs tors. theta energy: -107.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1272.625215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.625215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.625215 (E_RNA)
where:
Base-Base interactions energy: -824.026
where: short stacking energy: -363.990
Base-Backbone interact. energy: 1.945
local terms energy: -450.544199
where:
bonds (distance) C4'-P energy: -92.567
bonds (distance) P-C4' energy: -99.110
flat angles C4'-P-C4' energy: -96.183
flat angles P-C4'-P energy: -76.865
tors. eta vs tors. theta energy: -85.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1281.750467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.750467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.750467 (E_RNA)
where:
Base-Base interactions energy: -837.448
where: short stacking energy: -371.172
Base-Backbone interact. energy: -1.065
local terms energy: -443.238208
where:
bonds (distance) C4'-P energy: -86.232
bonds (distance) P-C4' energy: -105.830
flat angles C4'-P-C4' energy: -108.739
flat angles P-C4'-P energy: -65.742
tors. eta vs tors. theta energy: -76.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1144.800851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.800851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.800851 (E_RNA)
where:
Base-Base interactions energy: -770.004
where: short stacking energy: -330.244
Base-Backbone interact. energy: -0.349
local terms energy: -374.448039
where:
bonds (distance) C4'-P energy: -67.860
bonds (distance) P-C4' energy: -94.071
flat angles C4'-P-C4' energy: -96.824
flat angles P-C4'-P energy: -51.021
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: 9, replica: 3
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -867.557474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.557474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.557474 (E_RNA)
where:
Base-Base interactions energy: -494.390
where: short stacking energy: -238.972
Base-Backbone interact. energy: -1.016
local terms energy: -372.150734
where:
bonds (distance) C4'-P energy: -97.813
bonds (distance) P-C4' energy: -102.654
flat angles C4'-P-C4' energy: -85.840
flat angles P-C4'-P energy: -57.403
tors. eta vs tors. theta energy: -28.440
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: 117
Temperature: 1.350000
Total energy: -497.465347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.465347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.465347 (E_RNA)
where:
Base-Base interactions energy: -218.278
where: short stacking energy: -136.979
Base-Backbone interact. energy: 2.492
local terms energy: -281.678920
where:
bonds (distance) C4'-P energy: -89.350
bonds (distance) P-C4' energy: -83.376
flat angles C4'-P-C4' energy: -75.507
flat angles P-C4'-P energy: -43.607
tors. eta vs tors. theta energy: 10.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1824.884094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.884094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.884094 (E_RNA)
where:
Base-Base interactions energy: -1269.432
where: short stacking energy: -513.528
Base-Backbone interact. energy: -3.914
local terms energy: -551.537872
where:
bonds (distance) C4'-P energy: -108.843
bonds (distance) P-C4' energy: -105.268
flat angles C4'-P-C4' energy: -110.474
flat angles P-C4'-P energy: -77.607
tors. eta vs tors. theta energy: -149.346
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: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1737.706707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.706707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.706707 (E_RNA)
where:
Base-Base interactions energy: -1185.217
where: short stacking energy: -510.006
Base-Backbone interact. energy: -2.189
local terms energy: -550.300585
where:
bonds (distance) C4'-P energy: -98.007
bonds (distance) P-C4' energy: -107.532
flat angles C4'-P-C4' energy: -121.954
flat angles P-C4'-P energy: -81.094
tors. eta vs tors. theta energy: -141.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1583.274619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.274619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.274619 (E_RNA)
where:
Base-Base interactions energy: -1062.435
where: short stacking energy: -487.071
Base-Backbone interact. energy: -1.033
local terms energy: -519.806299
where:
bonds (distance) C4'-P energy: -81.186
bonds (distance) P-C4' energy: -109.454
flat angles C4'-P-C4' energy: -112.553
flat angles P-C4'-P energy: -82.930
tors. eta vs tors. theta energy: -133.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1541.896518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.896518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.896518 (E_RNA)
where:
Base-Base interactions energy: -1038.592
where: short stacking energy: -441.861
Base-Backbone interact. energy: 1.024
local terms energy: -504.328779
where:
bonds (distance) C4'-P energy: -102.243
bonds (distance) P-C4' energy: -98.538
flat angles C4'-P-C4' energy: -110.457
flat angles P-C4'-P energy: -75.144
tors. eta vs tors. theta energy: -117.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1371.643502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.643502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.643502 (E_RNA)
where:
Base-Base interactions energy: -917.056
where: short stacking energy: -405.721
Base-Backbone interact. energy: -3.317
local terms energy: -451.270978
where:
bonds (distance) C4'-P energy: -77.709
bonds (distance) P-C4' energy: -87.576
flat angles C4'-P-C4' energy: -105.240
flat angles P-C4'-P energy: -75.271
tors. eta vs tors. theta energy: -105.475
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: 118
Temperature: 1.150000
Total energy: -1277.426198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.426198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.426198 (E_RNA)
where:
Base-Base interactions energy: -832.342
where: short stacking energy: -390.959
Base-Backbone interact. energy: -0.291
local terms energy: -444.793661
where:
bonds (distance) C4'-P energy: -98.471
bonds (distance) P-C4' energy: -93.756
flat angles C4'-P-C4' energy: -94.697
flat angles P-C4'-P energy: -64.875
tors. eta vs tors. theta energy: -92.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1252.142566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.142566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.142566 (E_RNA)
where:
Base-Base interactions energy: -838.225
where: short stacking energy: -341.173
Base-Backbone interact. energy: 0.225
local terms energy: -414.142296
where:
bonds (distance) C4'-P energy: -90.143
bonds (distance) P-C4' energy: -89.242
flat angles C4'-P-C4' energy: -103.040
flat angles P-C4'-P energy: -64.625
tors. eta vs tors. theta energy: -67.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1129.748976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.748976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.748976 (E_RNA)
where:
Base-Base interactions energy: -739.270
where: short stacking energy: -306.325
Base-Backbone interact. energy: -0.302
local terms energy: -390.177377
where:
bonds (distance) C4'-P energy: -105.687
bonds (distance) P-C4' energy: -86.301
flat angles C4'-P-C4' energy: -88.682
flat angles P-C4'-P energy: -47.950
tors. eta vs tors. theta energy: -61.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -773.670423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.670423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.670423 (E_RNA)
where:
Base-Base interactions energy: -439.141
where: short stacking energy: -228.804
Base-Backbone interact. energy: 0.708
local terms energy: -335.237241
where:
bonds (distance) C4'-P energy: -99.051
bonds (distance) P-C4' energy: -91.588
flat angles C4'-P-C4' energy: -58.140
flat angles P-C4'-P energy: -62.810
tors. eta vs tors. theta energy: -23.648
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: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -497.237954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.237954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.237954 (E_RNA)
where:
Base-Base interactions energy: -233.332
where: short stacking energy: -166.585
Base-Backbone interact. energy: 5.213
local terms energy: -269.118834
where:
bonds (distance) C4'-P energy: -85.025
bonds (distance) P-C4' energy: -82.343
flat angles C4'-P-C4' energy: -66.465
flat angles P-C4'-P energy: -43.675
tors. eta vs tors. theta energy: 8.389
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: 4
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1866.054649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.054649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.054649 (E_RNA)
where:
Base-Base interactions energy: -1274.457
where: short stacking energy: -553.033
Base-Backbone interact. energy: -6.352
local terms energy: -585.244820
where:
bonds (distance) C4'-P energy: -108.054
bonds (distance) P-C4' energy: -114.710
flat angles C4'-P-C4' energy: -125.404
flat angles P-C4'-P energy: -80.903
tors. eta vs tors. theta energy: -156.173
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: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1764.094121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.094121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.094121 (E_RNA)
where:
Base-Base interactions energy: -1223.308
where: short stacking energy: -506.114
Base-Backbone interact. energy: -1.048
local terms energy: -539.737245
where:
bonds (distance) C4'-P energy: -103.109
bonds (distance) P-C4' energy: -101.792
flat angles C4'-P-C4' energy: -118.115
flat angles P-C4'-P energy: -79.989
tors. eta vs tors. theta energy: -136.733
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: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1600.060114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.060114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.060114 (E_RNA)
where:
Base-Base interactions energy: -1066.026
where: short stacking energy: -499.598
Base-Backbone interact. energy: -3.149
local terms energy: -530.885635
where:
bonds (distance) C4'-P energy: -98.010
bonds (distance) P-C4' energy: -89.507
flat angles C4'-P-C4' energy: -112.539
flat angles P-C4'-P energy: -88.853
tors. eta vs tors. theta energy: -141.976
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: 4, replica: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1580.260752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.260752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.260752 (E_RNA)
where:
Base-Base interactions energy: -1042.368
where: short stacking energy: -449.068
Base-Backbone interact. energy: -1.993
local terms energy: -535.899510
where:
bonds (distance) C4'-P energy: -100.335
bonds (distance) P-C4' energy: -113.286
flat angles C4'-P-C4' energy: -119.172
flat angles P-C4'-P energy: -72.616
tors. eta vs tors. theta energy: -130.491
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: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1410.647016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.647016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.647016 (E_RNA)
where:
Base-Base interactions energy: -923.614
where: short stacking energy: -415.163
Base-Backbone interact. energy: -1.702
local terms energy: -485.331383
where:
bonds (distance) C4'-P energy: -93.826
bonds (distance) P-C4' energy: -98.768
flat angles C4'-P-C4' energy: -109.799
flat angles P-C4'-P energy: -68.262
tors. eta vs tors. theta energy: -114.676
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: 8
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1346.285309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.285309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.285309 (E_RNA)
where:
Base-Base interactions energy: -908.385
where: short stacking energy: -380.650
Base-Backbone interact. energy: 2.408
local terms energy: -440.308425
where:
bonds (distance) C4'-P energy: -94.085
bonds (distance) P-C4' energy: -99.433
flat angles C4'-P-C4' energy: -99.034
flat angles P-C4'-P energy: -67.695
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: 7, replica: 9
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1221.980588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.980588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.980588 (E_RNA)
where:
Base-Base interactions energy: -775.122
where: short stacking energy: -333.975
Base-Backbone interact. energy: -3.497
local terms energy: -443.361971
where:
bonds (distance) C4'-P energy: -91.562
bonds (distance) P-C4' energy: -96.034
flat angles C4'-P-C4' energy: -113.454
flat angles P-C4'-P energy: -67.063
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: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1135.647858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.647858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.647858 (E_RNA)
where:
Base-Base interactions energy: -747.460
where: short stacking energy: -313.013
Base-Backbone interact. energy: -0.267
local terms energy: -387.920843
where:
bonds (distance) C4'-P energy: -80.510
bonds (distance) P-C4' energy: -80.382
flat angles C4'-P-C4' energy: -100.352
flat angles P-C4'-P energy: -50.752
tors. eta vs tors. theta energy: -75.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -795.915637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.915637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.915637 (E_RNA)
where:
Base-Base interactions energy: -427.024
where: short stacking energy: -220.828
Base-Backbone interact. energy: -0.389
local terms energy: -368.502608
where:
bonds (distance) C4'-P energy: -91.100
bonds (distance) P-C4' energy: -103.084
flat angles C4'-P-C4' energy: -93.919
flat angles P-C4'-P energy: -50.083
tors. eta vs tors. theta energy: -30.316
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: 119
Temperature: 1.350000
Total energy: -476.952330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.952330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.952330 (E_RNA)
where:
Base-Base interactions energy: -214.590
where: short stacking energy: -154.038
Base-Backbone interact. energy: 3.689
local terms energy: -266.051104
where:
bonds (distance) C4'-P energy: -84.407
bonds (distance) P-C4' energy: -75.079
flat angles C4'-P-C4' energy: -61.673
flat angles P-C4'-P energy: -55.796
tors. eta vs tors. theta energy: 10.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1871.638659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.638659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.638659 (E_RNA)
where:
Base-Base interactions energy: -1288.451
where: short stacking energy: -563.110
Base-Backbone interact. energy: -1.065
local terms energy: -582.122418
where:
bonds (distance) C4'-P energy: -114.033
bonds (distance) P-C4' energy: -108.243
flat angles C4'-P-C4' energy: -122.295
flat angles P-C4'-P energy: -80.756
tors. eta vs tors. theta energy: -156.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1766.846694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.846694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.846694 (E_RNA)
where:
Base-Base interactions energy: -1221.649
where: short stacking energy: -506.870
Base-Backbone interact. energy: -5.198
local terms energy: -539.998962
where:
bonds (distance) C4'-P energy: -99.569
bonds (distance) P-C4' energy: -104.749
flat angles C4'-P-C4' energy: -119.889
flat angles P-C4'-P energy: -78.212
tors. eta vs tors. theta energy: -137.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1633.678658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.678658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.678658 (E_RNA)
where:
Base-Base interactions energy: -1077.791
where: short stacking energy: -458.377
Base-Backbone interact. energy: 1.728
local terms energy: -557.615935
where:
bonds (distance) C4'-P energy: -106.248
bonds (distance) P-C4' energy: -113.685
flat angles C4'-P-C4' energy: -118.703
flat angles P-C4'-P energy: -89.657
tors. eta vs tors. theta energy: -129.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1526.985502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.985502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.985502 (E_RNA)
where:
Base-Base interactions energy: -1015.736
where: short stacking energy: -441.860
Base-Backbone interact. energy: -1.531
local terms energy: -509.718160
where:
bonds (distance) C4'-P energy: -99.265
bonds (distance) P-C4' energy: -108.950
flat angles C4'-P-C4' energy: -114.886
flat angles P-C4'-P energy: -59.576
tors. eta vs tors. theta energy: -127.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1408.023994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.023994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.023994 (E_RNA)
where:
Base-Base interactions energy: -940.165
where: short stacking energy: -429.389
Base-Backbone interact. energy: -1.895
local terms energy: -465.964100
where:
bonds (distance) C4'-P energy: -92.548
bonds (distance) P-C4' energy: -99.170
flat angles C4'-P-C4' energy: -104.893
flat angles P-C4'-P energy: -64.849
tors. eta vs tors. theta energy: -104.504
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: 8
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1375.336599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.336599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.336599 (E_RNA)
where:
Base-Base interactions energy: -936.608
where: short stacking energy: -418.348
Base-Backbone interact. energy: -2.159
local terms energy: -436.569476
where:
bonds (distance) C4'-P energy: -91.451
bonds (distance) P-C4' energy: -80.454
flat angles C4'-P-C4' energy: -96.599
flat angles P-C4'-P energy: -60.342
tors. eta vs tors. theta energy: -107.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1265.198696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.198696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.198696 (E_RNA)
where:
Base-Base interactions energy: -832.206
where: short stacking energy: -378.384
Base-Backbone interact. energy: -0.350
local terms energy: -432.642120
where:
bonds (distance) C4'-P energy: -87.820
bonds (distance) P-C4' energy: -98.173
flat angles C4'-P-C4' energy: -86.128
flat angles P-C4'-P energy: -72.708
tors. eta vs tors. theta energy: -87.814
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: 8, replica: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1164.907569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.907569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.907569 (E_RNA)
where:
Base-Base interactions energy: -754.053
where: short stacking energy: -314.804
Base-Backbone interact. energy: 0.055
local terms energy: -410.909154
where:
bonds (distance) C4'-P energy: -94.920
bonds (distance) P-C4' energy: -102.693
flat angles C4'-P-C4' energy: -94.452
flat angles P-C4'-P energy: -61.415
tors. eta vs tors. theta energy: -57.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -865.288643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.288643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.288643 (E_RNA)
where:
Base-Base interactions energy: -518.328
where: short stacking energy: -251.006
Base-Backbone interact. energy: -3.445
local terms energy: -343.515978
where:
bonds (distance) C4'-P energy: -76.210
bonds (distance) P-C4' energy: -103.656
flat angles C4'-P-C4' energy: -69.318
flat angles P-C4'-P energy: -54.104
tors. eta vs tors. theta energy: -40.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -519.856615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.856615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.856615 (E_RNA)
where:
Base-Base interactions energy: -256.434
where: short stacking energy: -170.044
Base-Backbone interact. energy: 3.531
local terms energy: -266.953583
where:
bonds (distance) C4'-P energy: -88.488
bonds (distance) P-C4' energy: -88.750
flat angles C4'-P-C4' energy: -72.563
flat angles P-C4'-P energy: -42.514
tors. eta vs tors. theta energy: 25.361
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: 4
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1828.795202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.795202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.795202 (E_RNA)
where:
Base-Base interactions energy: -1289.042
where: short stacking energy: -552.535
Base-Backbone interact. energy: -5.443
local terms energy: -534.310146
where:
bonds (distance) C4'-P energy: -106.520
bonds (distance) P-C4' energy: -101.180
flat angles C4'-P-C4' energy: -109.265
flat angles P-C4'-P energy: -72.392
tors. eta vs tors. theta energy: -144.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1723.601024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.601024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.601024 (E_RNA)
where:
Base-Base interactions energy: -1168.273
where: short stacking energy: -509.672
Base-Backbone interact. energy: -0.080
local terms energy: -555.247937
where:
bonds (distance) C4'-P energy: -115.921
bonds (distance) P-C4' energy: -112.597
flat angles C4'-P-C4' energy: -115.905
flat angles P-C4'-P energy: -77.576
tors. eta vs tors. theta energy: -133.250
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: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1599.350123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.350123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.350123 (E_RNA)
where:
Base-Base interactions energy: -1081.432
where: short stacking energy: -472.983
Base-Backbone interact. energy: -2.565
local terms energy: -515.353513
where:
bonds (distance) C4'-P energy: -88.109
bonds (distance) P-C4' energy: -108.239
flat angles C4'-P-C4' energy: -121.562
flat angles P-C4'-P energy: -67.790
tors. eta vs tors. theta energy: -129.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1593.376811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.376811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.376811 (E_RNA)
where:
Base-Base interactions energy: -1062.696
where: short stacking energy: -463.050
Base-Backbone interact. energy: -4.685
local terms energy: -525.995156
where:
bonds (distance) C4'-P energy: -104.875
bonds (distance) P-C4' energy: -104.500
flat angles C4'-P-C4' energy: -118.986
flat angles P-C4'-P energy: -68.763
tors. eta vs tors. theta energy: -128.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1424.980001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.980001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.980001 (E_RNA)
where:
Base-Base interactions energy: -950.179
where: short stacking energy: -444.805
Base-Backbone interact. energy: -1.472
local terms energy: -473.329902
where:
bonds (distance) C4'-P energy: -85.497
bonds (distance) P-C4' energy: -89.362
flat angles C4'-P-C4' energy: -106.350
flat angles P-C4'-P energy: -76.116
tors. eta vs tors. theta energy: -116.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1387.970297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.970297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.970297 (E_RNA)
where:
Base-Base interactions energy: -946.582
where: short stacking energy: -406.336
Base-Backbone interact. energy: -1.509
local terms energy: -439.879642
where:
bonds (distance) C4'-P energy: -91.863
bonds (distance) P-C4' energy: -82.619
flat angles C4'-P-C4' energy: -95.958
flat angles P-C4'-P energy: -67.772
tors. eta vs tors. theta energy: -101.667
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: 9
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1220.063732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.063732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.063732 (E_RNA)
where:
Base-Base interactions energy: -812.476
where: short stacking energy: -362.960
Base-Backbone interact. energy: 0.381
local terms energy: -407.969520
where:
bonds (distance) C4'-P energy: -83.770
bonds (distance) P-C4' energy: -100.996
flat angles C4'-P-C4' energy: -95.207
flat angles P-C4'-P energy: -50.711
tors. eta vs tors. theta energy: -77.285
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: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1173.452847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.452847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.452847 (E_RNA)
where:
Base-Base interactions energy: -754.958
where: short stacking energy: -324.304
Base-Backbone interact. energy: 4.733
local terms energy: -423.227751
where:
bonds (distance) C4'-P energy: -85.583
bonds (distance) P-C4' energy: -101.366
flat angles C4'-P-C4' energy: -86.111
flat angles P-C4'-P energy: -71.585
tors. eta vs tors. theta energy: -78.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -851.715400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.715400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.715400 (E_RNA)
where:
Base-Base interactions energy: -490.828
where: short stacking energy: -238.406
Base-Backbone interact. energy: -3.452
local terms energy: -357.435849
where:
bonds (distance) C4'-P energy: -95.825
bonds (distance) P-C4' energy: -104.665
flat angles C4'-P-C4' energy: -76.220
flat angles P-C4'-P energy: -47.251
tors. eta vs tors. theta energy: -33.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -478.090711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.090711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.090711 (E_RNA)
where:
Base-Base interactions energy: -245.822
where: short stacking energy: -145.503
Base-Backbone interact. energy: -0.647
local terms energy: -231.621516
where:
bonds (distance) C4'-P energy: -78.062
bonds (distance) P-C4' energy: -73.114
flat angles C4'-P-C4' energy: -85.350
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: 25.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1815.331397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.331397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.331397 (E_RNA)
where:
Base-Base interactions energy: -1243.492
where: short stacking energy: -544.433
Base-Backbone interact. energy: -4.565
local terms energy: -567.274247
where:
bonds (distance) C4'-P energy: -100.576
bonds (distance) P-C4' energy: -119.366
flat angles C4'-P-C4' energy: -114.635
flat angles P-C4'-P energy: -74.765
tors. eta vs tors. theta energy: -157.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1754.039400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.039400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.039400 (E_RNA)
where:
Base-Base interactions energy: -1196.089
where: short stacking energy: -489.449
Base-Backbone interact. energy: 0.962
local terms energy: -558.911852
where:
bonds (distance) C4'-P energy: -109.996
bonds (distance) P-C4' energy: -115.759
flat angles C4'-P-C4' energy: -115.861
flat angles P-C4'-P energy: -73.920
tors. eta vs tors. theta energy: -143.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1595.926318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.926318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.926318 (E_RNA)
where:
Base-Base interactions energy: -1065.218
where: short stacking energy: -482.418
Base-Backbone interact. energy: 1.137
local terms energy: -531.845109
where:
bonds (distance) C4'-P energy: -102.360
bonds (distance) P-C4' energy: -112.579
flat angles C4'-P-C4' energy: -107.459
flat angles P-C4'-P energy: -69.370
tors. eta vs tors. theta energy: -140.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1544.459177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.459177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.459177 (E_RNA)
where:
Base-Base interactions energy: -1020.119
where: short stacking energy: -437.391
Base-Backbone interact. energy: 0.308
local terms energy: -524.648117
where:
bonds (distance) C4'-P energy: -98.019
bonds (distance) P-C4' energy: -103.183
flat angles C4'-P-C4' energy: -115.428
flat angles P-C4'-P energy: -73.623
tors. eta vs tors. theta energy: -134.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1444.176105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.176105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.176105 (E_RNA)
where:
Base-Base interactions energy: -960.083
where: short stacking energy: -412.190
Base-Backbone interact. energy: -4.066
local terms energy: -480.027100
where:
bonds (distance) C4'-P energy: -97.497
bonds (distance) P-C4' energy: -95.444
flat angles C4'-P-C4' energy: -99.124
flat angles P-C4'-P energy: -76.326
tors. eta vs tors. theta energy: -111.636
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: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1334.428214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.428214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.428214 (E_RNA)
where:
Base-Base interactions energy: -890.978
where: short stacking energy: -368.818
Base-Backbone interact. energy: 1.217
local terms energy: -444.667343
where:
bonds (distance) C4'-P energy: -84.812
bonds (distance) P-C4' energy: -93.483
flat angles C4'-P-C4' energy: -110.068
flat angles P-C4'-P energy: -63.463
tors. eta vs tors. theta energy: -92.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1206.769519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.769519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.769519 (E_RNA)
where:
Base-Base interactions energy: -795.224
where: short stacking energy: -332.530
Base-Backbone interact. energy: -3.711
local terms energy: -407.834708
where:
bonds (distance) C4'-P energy: -87.002
bonds (distance) P-C4' energy: -80.614
flat angles C4'-P-C4' energy: -99.354
flat angles P-C4'-P energy: -75.624
tors. eta vs tors. theta energy: -65.240
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: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1113.557103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.557103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.557103 (E_RNA)
where:
Base-Base interactions energy: -725.895
where: short stacking energy: -301.641
Base-Backbone interact. energy: -1.112
local terms energy: -386.550017
where:
bonds (distance) C4'-P energy: -96.403
bonds (distance) P-C4' energy: -84.856
flat angles C4'-P-C4' energy: -94.480
flat angles P-C4'-P energy: -54.957
tors. eta vs tors. theta energy: -55.854
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: 3
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -777.831646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.831646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.831646 (E_RNA)
where:
Base-Base interactions energy: -423.337
where: short stacking energy: -211.168
Base-Backbone interact. energy: -2.257
local terms energy: -352.237564
where:
bonds (distance) C4'-P energy: -104.029
bonds (distance) P-C4' energy: -93.865
flat angles C4'-P-C4' energy: -91.099
flat angles P-C4'-P energy: -54.104
tors. eta vs tors. theta energy: -9.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -480.258669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.258669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.258669 (E_RNA)
where:
Base-Base interactions energy: -189.845
where: short stacking energy: -126.805
Base-Backbone interact. energy: 1.278
local terms energy: -291.691248
where:
bonds (distance) C4'-P energy: -86.984
bonds (distance) P-C4' energy: -88.339
flat angles C4'-P-C4' energy: -83.388
flat angles P-C4'-P energy: -50.283
tors. eta vs tors. theta energy: 17.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1835.777141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.777141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.777141 (E_RNA)
where:
Base-Base interactions energy: -1292.831
where: short stacking energy: -532.022
Base-Backbone interact. energy: 3.609
local terms energy: -546.555678
where:
bonds (distance) C4'-P energy: -109.161
bonds (distance) P-C4' energy: -107.116
flat angles C4'-P-C4' energy: -119.845
flat angles P-C4'-P energy: -70.518
tors. eta vs tors. theta energy: -139.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1725.944787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.944787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.944787 (E_RNA)
where:
Base-Base interactions energy: -1167.458
where: short stacking energy: -503.165
Base-Backbone interact. energy: -3.645
local terms energy: -554.841023
where:
bonds (distance) C4'-P energy: -100.094
bonds (distance) P-C4' energy: -109.190
flat angles C4'-P-C4' energy: -119.538
flat angles P-C4'-P energy: -84.556
tors. eta vs tors. theta energy: -141.464
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: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1619.016537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.016537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.016537 (E_RNA)
where:
Base-Base interactions energy: -1087.358
where: short stacking energy: -480.906
Base-Backbone interact. energy: -1.417
local terms energy: -530.241004
where:
bonds (distance) C4'-P energy: -105.605
bonds (distance) P-C4' energy: -106.895
flat angles C4'-P-C4' energy: -101.522
flat angles P-C4'-P energy: -78.794
tors. eta vs tors. theta energy: -137.426
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: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1572.623608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.623608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.623608 (E_RNA)
where:
Base-Base interactions energy: -1068.655
where: short stacking energy: -466.863
Base-Backbone interact. energy: 3.451
local terms energy: -507.419867
where:
bonds (distance) C4'-P energy: -101.931
bonds (distance) P-C4' energy: -85.295
flat angles C4'-P-C4' energy: -119.048
flat angles P-C4'-P energy: -69.636
tors. eta vs tors. theta energy: -131.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1453.645717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.645717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.645717 (E_RNA)
where:
Base-Base interactions energy: -962.615
where: short stacking energy: -401.400
Base-Backbone interact. energy: -1.722
local terms energy: -489.308483
where:
bonds (distance) C4'-P energy: -104.169
bonds (distance) P-C4' energy: -90.173
flat angles C4'-P-C4' energy: -102.209
flat angles P-C4'-P energy: -79.086
tors. eta vs tors. theta energy: -113.671
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: 8
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1369.000274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.000274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.000274 (E_RNA)
where:
Base-Base interactions energy: -921.239
where: short stacking energy: -387.902
Base-Backbone interact. energy: -1.554
local terms energy: -446.207409
where:
bonds (distance) C4'-P energy: -116.104
bonds (distance) P-C4' energy: -89.210
flat angles C4'-P-C4' energy: -94.409
flat angles P-C4'-P energy: -53.544
tors. eta vs tors. theta energy: -92.940
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: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1261.886082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.886082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.886082 (E_RNA)
where:
Base-Base interactions energy: -817.928
where: short stacking energy: -343.558
Base-Backbone interact. energy: -1.179
local terms energy: -442.779201
where:
bonds (distance) C4'-P energy: -87.856
bonds (distance) P-C4' energy: -103.897
flat angles C4'-P-C4' energy: -105.200
flat angles P-C4'-P energy: -65.325
tors. eta vs tors. theta energy: -80.501
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: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1150.147349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.147349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.147349 (E_RNA)
where:
Base-Base interactions energy: -755.492
where: short stacking energy: -321.414
Base-Backbone interact. energy: 1.382
local terms energy: -396.037214
where:
bonds (distance) C4'-P energy: -92.104
bonds (distance) P-C4' energy: -89.961
flat angles C4'-P-C4' energy: -92.747
flat angles P-C4'-P energy: -58.433
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: 9, replica: 3
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -769.740928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.740928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.740928 (E_RNA)
where:
Base-Base interactions energy: -443.231
where: short stacking energy: -179.945
Base-Backbone interact. energy: 3.229
local terms energy: -329.738891
where:
bonds (distance) C4'-P energy: -101.745
bonds (distance) P-C4' energy: -93.182
flat angles C4'-P-C4' energy: -80.931
flat angles P-C4'-P energy: -46.126
tors. eta vs tors. theta energy: -7.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -528.045951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.045951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.045951 (E_RNA)
where:
Base-Base interactions energy: -235.811
where: short stacking energy: -158.354
Base-Backbone interact. energy: 4.824
local terms energy: -297.059070
where:
bonds (distance) C4'-P energy: -91.184
bonds (distance) P-C4' energy: -89.418
flat angles C4'-P-C4' energy: -81.852
flat angles P-C4'-P energy: -44.693
tors. eta vs tors. theta energy: 10.088
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: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1845.130970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.130970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.130970 (E_RNA)
where:
Base-Base interactions energy: -1266.748
where: short stacking energy: -535.368
Base-Backbone interact. energy: -4.431
local terms energy: -573.952457
where:
bonds (distance) C4'-P energy: -112.388
bonds (distance) P-C4' energy: -114.001
flat angles C4'-P-C4' energy: -125.044
flat angles P-C4'-P energy: -68.306
tors. eta vs tors. theta energy: -154.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1767.208232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.208232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.208232 (E_RNA)
where:
Base-Base interactions energy: -1209.432
where: short stacking energy: -531.649
Base-Backbone interact. energy: -2.154
local terms energy: -555.622695
where:
bonds (distance) C4'-P energy: -98.178
bonds (distance) P-C4' energy: -105.033
flat angles C4'-P-C4' energy: -110.653
flat angles P-C4'-P energy: -76.526
tors. eta vs tors. theta energy: -165.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1618.058124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.058124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.058124 (E_RNA)
where:
Base-Base interactions energy: -1081.823
where: short stacking energy: -486.184
Base-Backbone interact. energy: 0.296
local terms energy: -536.530486
where:
bonds (distance) C4'-P energy: -96.804
bonds (distance) P-C4' energy: -101.782
flat angles C4'-P-C4' energy: -122.871
flat angles P-C4'-P energy: -72.167
tors. eta vs tors. theta energy: -142.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1581.699226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.699226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.699226 (E_RNA)
where:
Base-Base interactions energy: -1047.761
where: short stacking energy: -471.024
Base-Backbone interact. energy: 1.575
local terms energy: -535.512604
where:
bonds (distance) C4'-P energy: -99.908
bonds (distance) P-C4' energy: -100.222
flat angles C4'-P-C4' energy: -114.945
flat angles P-C4'-P energy: -80.915
tors. eta vs tors. theta energy: -139.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1424.461335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.461335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.461335 (E_RNA)
where:
Base-Base interactions energy: -938.019
where: short stacking energy: -399.207
Base-Backbone interact. energy: -2.348
local terms energy: -484.093867
where:
bonds (distance) C4'-P energy: -112.515
bonds (distance) P-C4' energy: -93.334
flat angles C4'-P-C4' energy: -113.487
flat angles P-C4'-P energy: -56.059
tors. eta vs tors. theta energy: -108.699
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: 6, replica: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1358.045009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.045009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.045009 (E_RNA)
where:
Base-Base interactions energy: -907.044
where: short stacking energy: -400.802
Base-Backbone interact. energy: -0.560
local terms energy: -450.441773
where:
bonds (distance) C4'-P energy: -89.137
bonds (distance) P-C4' energy: -99.600
flat angles C4'-P-C4' energy: -84.617
flat angles P-C4'-P energy: -77.618
tors. eta vs tors. theta energy: -99.469
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: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1316.603375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.603375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.603375 (E_RNA)
where:
Base-Base interactions energy: -891.236
where: short stacking energy: -408.363
Base-Backbone interact. energy: -0.050
local terms energy: -425.317919
where:
bonds (distance) C4'-P energy: -84.231
bonds (distance) P-C4' energy: -87.273
flat angles C4'-P-C4' energy: -98.109
flat angles P-C4'-P energy: -64.819
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: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1175.700636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.700636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.700636 (E_RNA)
where:
Base-Base interactions energy: -770.182
where: short stacking energy: -347.624
Base-Backbone interact. energy: -1.589
local terms energy: -403.929833
where:
bonds (distance) C4'-P energy: -77.930
bonds (distance) P-C4' energy: -102.668
flat angles C4'-P-C4' energy: -99.956
flat angles P-C4'-P energy: -53.403
tors. eta vs tors. theta energy: -69.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -764.165246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.165246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.165246 (E_RNA)
where:
Base-Base interactions energy: -448.375
where: short stacking energy: -219.618
Base-Backbone interact. energy: -2.358
local terms energy: -313.432151
where:
bonds (distance) C4'-P energy: -78.780
bonds (distance) P-C4' energy: -93.128
flat angles C4'-P-C4' energy: -61.403
flat angles P-C4'-P energy: -40.407
tors. eta vs tors. theta energy: -39.715
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: 124
Temperature: 1.350000
Total energy: -601.067124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.067124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.067124 (E_RNA)
where:
Base-Base interactions energy: -325.377
where: short stacking energy: -198.930
Base-Backbone interact. energy: 4.263
local terms energy: -279.953247
where:
bonds (distance) C4'-P energy: -82.061
bonds (distance) P-C4' energy: -84.663
flat angles C4'-P-C4' energy: -78.572
flat angles P-C4'-P energy: -27.782
tors. eta vs tors. theta energy: -6.875
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: 1, replica: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1794.950069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.950069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.950069 (E_RNA)
where:
Base-Base interactions energy: -1223.420
where: short stacking energy: -496.177
Base-Backbone interact. energy: -1.981
local terms energy: -569.548724
where:
bonds (distance) C4'-P energy: -112.636
bonds (distance) P-C4' energy: -120.716
flat angles C4'-P-C4' energy: -117.952
flat angles P-C4'-P energy: -81.281
tors. eta vs tors. theta energy: -136.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1757.544554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.544554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.544554 (E_RNA)
where:
Base-Base interactions energy: -1189.848
where: short stacking energy: -504.410
Base-Backbone interact. energy: -0.758
local terms energy: -566.938552
where:
bonds (distance) C4'-P energy: -101.097
bonds (distance) P-C4' energy: -105.563
flat angles C4'-P-C4' energy: -123.027
flat angles P-C4'-P energy: -83.790
tors. eta vs tors. theta energy: -153.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1593.697634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.697634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.697634 (E_RNA)
where:
Base-Base interactions energy: -1067.879
where: short stacking energy: -479.312
Base-Backbone interact. energy: -1.527
local terms energy: -524.291251
where:
bonds (distance) C4'-P energy: -106.937
bonds (distance) P-C4' energy: -102.687
flat angles C4'-P-C4' energy: -113.299
flat angles P-C4'-P energy: -75.600
tors. eta vs tors. theta energy: -125.769
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: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1588.358041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.358041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.358041 (E_RNA)
where:
Base-Base interactions energy: -1060.181
where: short stacking energy: -475.710
Base-Backbone interact. energy: -2.102
local terms energy: -526.075322
where:
bonds (distance) C4'-P energy: -94.234
bonds (distance) P-C4' energy: -116.814
flat angles C4'-P-C4' energy: -110.990
flat angles P-C4'-P energy: -67.125
tors. eta vs tors. theta energy: -136.913
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: 5, replica: 8
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1435.657217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.657217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.657217 (E_RNA)
where:
Base-Base interactions energy: -929.996
where: short stacking energy: -402.598
Base-Backbone interact. energy: 1.692
local terms energy: -507.353481
where:
bonds (distance) C4'-P energy: -106.516
bonds (distance) P-C4' energy: -105.495
flat angles C4'-P-C4' energy: -104.247
flat angles P-C4'-P energy: -86.789
tors. eta vs tors. theta energy: -104.307
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: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1349.915630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.915630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.915630 (E_RNA)
where:
Base-Base interactions energy: -906.513
where: short stacking energy: -418.569
Base-Backbone interact. energy: -0.296
local terms energy: -443.106745
where:
bonds (distance) C4'-P energy: -86.231
bonds (distance) P-C4' energy: -92.693
flat angles C4'-P-C4' energy: -98.648
flat angles P-C4'-P energy: -64.357
tors. eta vs tors. theta energy: -101.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1269.027283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.027283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.027283 (E_RNA)
where:
Base-Base interactions energy: -842.306
where: short stacking energy: -366.003
Base-Backbone interact. energy: -3.344
local terms energy: -423.377952
where:
bonds (distance) C4'-P energy: -94.772
bonds (distance) P-C4' energy: -91.884
flat angles C4'-P-C4' energy: -98.189
flat angles P-C4'-P energy: -64.277
tors. eta vs tors. theta energy: -74.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1206.462596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.462596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.462596 (E_RNA)
where:
Base-Base interactions energy: -787.838
where: short stacking energy: -337.112
Base-Backbone interact. energy: -1.566
local terms energy: -417.058715
where:
bonds (distance) C4'-P energy: -88.097
bonds (distance) P-C4' energy: -98.413
flat angles C4'-P-C4' energy: -90.483
flat angles P-C4'-P energy: -62.690
tors. eta vs tors. theta energy: -77.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -781.243258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.243258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.243258 (E_RNA)
where:
Base-Base interactions energy: -433.501
where: short stacking energy: -238.535
Base-Backbone interact. energy: 1.155
local terms energy: -348.896843
where:
bonds (distance) C4'-P energy: -92.791
bonds (distance) P-C4' energy: -97.802
flat angles C4'-P-C4' energy: -62.291
flat angles P-C4'-P energy: -70.624
tors. eta vs tors. theta energy: -25.389
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: 125
Temperature: 1.350000
Total energy: -563.748887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.748887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.748887 (E_RNA)
where:
Base-Base interactions energy: -250.585
where: short stacking energy: -153.371
Base-Backbone interact. energy: -0.036
local terms energy: -313.127920
where:
bonds (distance) C4'-P energy: -81.857
bonds (distance) P-C4' energy: -98.590
flat angles C4'-P-C4' energy: -85.215
flat angles P-C4'-P energy: -50.181
tors. eta vs tors. theta energy: 2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1833.545585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.545585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.545585 (E_RNA)
where:
Base-Base interactions energy: -1241.300
where: short stacking energy: -520.834
Base-Backbone interact. energy: -2.494
local terms energy: -589.751914
where:
bonds (distance) C4'-P energy: -120.417
bonds (distance) P-C4' energy: -107.245
flat angles C4'-P-C4' energy: -123.792
flat angles P-C4'-P energy: -86.727
tors. eta vs tors. theta energy: -151.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1714.643276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.643276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.643276 (E_RNA)
where:
Base-Base interactions energy: -1178.349
where: short stacking energy: -501.379
Base-Backbone interact. energy: -3.509
local terms energy: -532.784988
where:
bonds (distance) C4'-P energy: -96.894
bonds (distance) P-C4' energy: -94.405
flat angles C4'-P-C4' energy: -110.297
flat angles P-C4'-P energy: -81.100
tors. eta vs tors. theta energy: -150.088
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: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1597.810418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.810418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.810418 (E_RNA)
where:
Base-Base interactions energy: -1067.580
where: short stacking energy: -482.405
Base-Backbone interact. energy: -2.336
local terms energy: -527.893924
where:
bonds (distance) C4'-P energy: -108.149
bonds (distance) P-C4' energy: -103.683
flat angles C4'-P-C4' energy: -113.959
flat angles P-C4'-P energy: -68.036
tors. eta vs tors. theta energy: -134.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1555.954511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.954511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.954511 (E_RNA)
where:
Base-Base interactions energy: -1057.415
where: short stacking energy: -479.419
Base-Backbone interact. energy: -2.683
local terms energy: -495.855786
where:
bonds (distance) C4'-P energy: -90.961
bonds (distance) P-C4' energy: -84.995
flat angles C4'-P-C4' energy: -109.224
flat angles P-C4'-P energy: -76.737
tors. eta vs tors. theta energy: -133.939
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: 8
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1456.048675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.048675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.048675 (E_RNA)
where:
Base-Base interactions energy: -1005.111
where: short stacking energy: -422.295
Base-Backbone interact. energy: 4.031
local terms energy: -454.968599
where:
bonds (distance) C4'-P energy: -94.869
bonds (distance) P-C4' energy: -102.839
flat angles C4'-P-C4' energy: -97.896
flat angles P-C4'-P energy: -61.073
tors. eta vs tors. theta energy: -98.292
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: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1369.747632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.747632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.747632 (E_RNA)
where:
Base-Base interactions energy: -885.525
where: short stacking energy: -404.956
Base-Backbone interact. energy: -1.011
local terms energy: -483.211969
where:
bonds (distance) C4'-P energy: -100.573
bonds (distance) P-C4' energy: -87.003
flat angles C4'-P-C4' energy: -103.444
flat angles P-C4'-P energy: -76.954
tors. eta vs tors. theta energy: -115.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1283.127457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.127457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.127457 (E_RNA)
where:
Base-Base interactions energy: -847.934
where: short stacking energy: -380.539
Base-Backbone interact. energy: -2.364
local terms energy: -432.828994
where:
bonds (distance) C4'-P energy: -90.837
bonds (distance) P-C4' energy: -85.284
flat angles C4'-P-C4' energy: -98.407
flat angles P-C4'-P energy: -69.360
tors. eta vs tors. theta energy: -88.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1211.907702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.907702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.907702 (E_RNA)
where:
Base-Base interactions energy: -777.923
where: short stacking energy: -334.582
Base-Backbone interact. energy: 4.377
local terms energy: -438.361563
where:
bonds (distance) C4'-P energy: -86.154
bonds (distance) P-C4' energy: -103.661
flat angles C4'-P-C4' energy: -115.723
flat angles P-C4'-P energy: -67.000
tors. eta vs tors. theta energy: -65.823
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: 3
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -743.621161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.621161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.621161 (E_RNA)
where:
Base-Base interactions energy: -417.655
where: short stacking energy: -229.291
Base-Backbone interact. energy: -2.900
local terms energy: -323.066077
where:
bonds (distance) C4'-P energy: -67.705
bonds (distance) P-C4' energy: -101.225
flat angles C4'-P-C4' energy: -74.436
flat angles P-C4'-P energy: -55.798
tors. eta vs tors. theta energy: -23.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -547.458553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.458553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.458553 (E_RNA)
where:
Base-Base interactions energy: -252.813
where: short stacking energy: -165.189
Base-Backbone interact. energy: 7.574
local terms energy: -302.219307
where:
bonds (distance) C4'-P energy: -87.311
bonds (distance) P-C4' energy: -86.680
flat angles C4'-P-C4' energy: -83.303
flat angles P-C4'-P energy: -61.950
tors. eta vs tors. theta energy: 17.025
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: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1826.110933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.110933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.110933 (E_RNA)
where:
Base-Base interactions energy: -1265.212
where: short stacking energy: -528.283
Base-Backbone interact. energy: -3.566
local terms energy: -557.332866
where:
bonds (distance) C4'-P energy: -107.352
bonds (distance) P-C4' energy: -113.884
flat angles C4'-P-C4' energy: -113.292
flat angles P-C4'-P energy: -73.614
tors. eta vs tors. theta energy: -149.191
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: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1769.098543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.098543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.098543 (E_RNA)
where:
Base-Base interactions energy: -1196.739
where: short stacking energy: -535.025
Base-Backbone interact. energy: -3.672
local terms energy: -568.688057
where:
bonds (distance) C4'-P energy: -99.579
bonds (distance) P-C4' energy: -114.029
flat angles C4'-P-C4' energy: -122.711
flat angles P-C4'-P energy: -75.709
tors. eta vs tors. theta energy: -156.661
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: 7
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1591.204140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.204140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.204140 (E_RNA)
where:
Base-Base interactions energy: -1063.537
where: short stacking energy: -493.876
Base-Backbone interact. energy: 0.808
local terms energy: -528.474862
where:
bonds (distance) C4'-P energy: -94.164
bonds (distance) P-C4' energy: -102.588
flat angles C4'-P-C4' energy: -121.881
flat angles P-C4'-P energy: -76.497
tors. eta vs tors. theta energy: -133.345
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: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1509.479056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.479056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.479056 (E_RNA)
where:
Base-Base interactions energy: -1008.937
where: short stacking energy: -425.374
Base-Backbone interact. energy: -1.684
local terms energy: -498.857878
where:
bonds (distance) C4'-P energy: -97.645
bonds (distance) P-C4' energy: -107.229
flat angles C4'-P-C4' energy: -103.583
flat angles P-C4'-P energy: -75.332
tors. eta vs tors. theta energy: -115.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1425.974461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.974461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.974461 (E_RNA)
where:
Base-Base interactions energy: -935.250
where: short stacking energy: -417.132
Base-Backbone interact. energy: -2.519
local terms energy: -488.205985
where:
bonds (distance) C4'-P energy: -107.687
bonds (distance) P-C4' energy: -102.961
flat angles C4'-P-C4' energy: -104.005
flat angles P-C4'-P energy: -73.503
tors. eta vs tors. theta energy: -100.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1349.247640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.247640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.247640 (E_RNA)
where:
Base-Base interactions energy: -871.413
where: short stacking energy: -412.260
Base-Backbone interact. energy: -0.335
local terms energy: -477.499607
where:
bonds (distance) C4'-P energy: -91.830
bonds (distance) P-C4' energy: -101.432
flat angles C4'-P-C4' energy: -104.024
flat angles P-C4'-P energy: -72.079
tors. eta vs tors. theta energy: -108.134
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: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1257.748284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.748284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.748284 (E_RNA)
where:
Base-Base interactions energy: -820.306
where: short stacking energy: -357.165
Base-Backbone interact. energy: -0.017
local terms energy: -437.424520
where:
bonds (distance) C4'-P energy: -110.750
bonds (distance) P-C4' energy: -86.775
flat angles C4'-P-C4' energy: -96.897
flat angles P-C4'-P energy: -59.881
tors. eta vs tors. theta energy: -83.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1250.845157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.845157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.845157 (E_RNA)
where:
Base-Base interactions energy: -838.905
where: short stacking energy: -339.883
Base-Backbone interact. energy: -0.142
local terms energy: -411.798008
where:
bonds (distance) C4'-P energy: -95.403
bonds (distance) P-C4' energy: -96.133
flat angles C4'-P-C4' energy: -98.644
flat angles P-C4'-P energy: -56.025
tors. eta vs tors. theta energy: -65.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -766.614673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.614673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.614673 (E_RNA)
where:
Base-Base interactions energy: -455.942
where: short stacking energy: -244.798
Base-Backbone interact. energy: 0.706
local terms energy: -311.378815
where:
bonds (distance) C4'-P energy: -76.973
bonds (distance) P-C4' energy: -81.122
flat angles C4'-P-C4' energy: -92.485
flat angles P-C4'-P energy: -44.355
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -515.997478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.997478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.997478 (E_RNA)
where:
Base-Base interactions energy: -212.246
where: short stacking energy: -122.944
Base-Backbone interact. energy: -1.745
local terms energy: -302.006000
where:
bonds (distance) C4'-P energy: -69.125
bonds (distance) P-C4' energy: -95.874
flat angles C4'-P-C4' energy: -79.941
flat angles P-C4'-P energy: -61.164
tors. eta vs tors. theta energy: 4.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1850.068220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.068220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.068220 (E_RNA)
where:
Base-Base interactions energy: -1277.674
where: short stacking energy: -536.239
Base-Backbone interact. energy: 0.133
local terms energy: -572.527034
where:
bonds (distance) C4'-P energy: -106.150
bonds (distance) P-C4' energy: -110.746
flat angles C4'-P-C4' energy: -131.504
flat angles P-C4'-P energy: -73.899
tors. eta vs tors. theta energy: -150.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1771.571105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.571105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.571105 (E_RNA)
where:
Base-Base interactions energy: -1211.100
where: short stacking energy: -508.225
Base-Backbone interact. energy: -2.289
local terms energy: -558.182357
where:
bonds (distance) C4'-P energy: -91.307
bonds (distance) P-C4' energy: -111.157
flat angles C4'-P-C4' energy: -123.114
flat angles P-C4'-P energy: -89.290
tors. eta vs tors. theta energy: -143.314
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: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1612.520910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.520910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.520910 (E_RNA)
where:
Base-Base interactions energy: -1084.322
where: short stacking energy: -486.026
Base-Backbone interact. energy: -0.142
local terms energy: -528.056338
where:
bonds (distance) C4'-P energy: -105.443
bonds (distance) P-C4' energy: -99.845
flat angles C4'-P-C4' energy: -113.066
flat angles P-C4'-P energy: -80.143
tors. eta vs tors. theta energy: -129.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1508.526093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.526093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.526093 (E_RNA)
where:
Base-Base interactions energy: -1014.863
where: short stacking energy: -447.126
Base-Backbone interact. energy: 1.628
local terms energy: -495.291219
where:
bonds (distance) C4'-P energy: -101.384
bonds (distance) P-C4' energy: -103.639
flat angles C4'-P-C4' energy: -104.957
flat angles P-C4'-P energy: -65.017
tors. eta vs tors. theta energy: -120.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1444.018467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.018467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.018467 (E_RNA)
where:
Base-Base interactions energy: -948.963
where: short stacking energy: -401.622
Base-Backbone interact. energy: -1.630
local terms energy: -493.425327
where:
bonds (distance) C4'-P energy: -92.351
bonds (distance) P-C4' energy: -120.903
flat angles C4'-P-C4' energy: -110.155
flat angles P-C4'-P energy: -69.166
tors. eta vs tors. theta energy: -100.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1409.038652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.038652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.038652 (E_RNA)
where:
Base-Base interactions energy: -933.517
where: short stacking energy: -448.665
Base-Backbone interact. energy: -1.872
local terms energy: -473.649455
where:
bonds (distance) C4'-P energy: -98.654
bonds (distance) P-C4' energy: -84.777
flat angles C4'-P-C4' energy: -101.645
flat angles P-C4'-P energy: -73.709
tors. eta vs tors. theta energy: -114.866
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: 128
Temperature: 1.200000
Total energy: -1306.105505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.105505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.105505 (E_RNA)
where:
Base-Base interactions energy: -877.295
where: short stacking energy: -386.024
Base-Backbone interact. energy: -2.971
local terms energy: -425.840106
where:
bonds (distance) C4'-P energy: -86.518
bonds (distance) P-C4' energy: -97.044
flat angles C4'-P-C4' energy: -101.226
flat angles P-C4'-P energy: -56.925
tors. eta vs tors. theta energy: -84.127
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: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1189.887827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.887827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.887827 (E_RNA)
where:
Base-Base interactions energy: -780.590
where: short stacking energy: -318.141
Base-Backbone interact. energy: -2.479
local terms energy: -406.818624
where:
bonds (distance) C4'-P energy: -93.951
bonds (distance) P-C4' energy: -85.707
flat angles C4'-P-C4' energy: -87.218
flat angles P-C4'-P energy: -64.923
tors. eta vs tors. theta energy: -75.019
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: 3
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -760.005375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.005375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.005375 (E_RNA)
where:
Base-Base interactions energy: -457.561
where: short stacking energy: -222.976
Base-Backbone interact. energy: 0.720
local terms energy: -303.164598
where:
bonds (distance) C4'-P energy: -80.973
bonds (distance) P-C4' energy: -76.907
flat angles C4'-P-C4' energy: -65.849
flat angles P-C4'-P energy: -56.299
tors. eta vs tors. theta energy: -23.137
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: 128
Temperature: 1.350000
Total energy: -479.072672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.072672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.072672 (E_RNA)
where:
Base-Base interactions energy: -194.330
where: short stacking energy: -143.107
Base-Backbone interact. energy: 0.836
local terms energy: -285.578103
where:
bonds (distance) C4'-P energy: -62.115
bonds (distance) P-C4' energy: -88.051
flat angles C4'-P-C4' energy: -89.574
flat angles P-C4'-P energy: -55.611
tors. eta vs tors. theta energy: 9.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1823.763711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.763711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.763711 (E_RNA)
where:
Base-Base interactions energy: -1272.778
where: short stacking energy: -547.861
Base-Backbone interact. energy: -2.513
local terms energy: -548.472083
where:
bonds (distance) C4'-P energy: -105.352
bonds (distance) P-C4' energy: -111.302
flat angles C4'-P-C4' energy: -114.208
flat angles P-C4'-P energy: -68.410
tors. eta vs tors. theta energy: -149.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1754.049641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.049641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.049641 (E_RNA)
where:
Base-Base interactions energy: -1209.167
where: short stacking energy: -504.383
Base-Backbone interact. energy: 2.459
local terms energy: -547.341609
where:
bonds (distance) C4'-P energy: -104.729
bonds (distance) P-C4' energy: -106.223
flat angles C4'-P-C4' energy: -117.699
flat angles P-C4'-P energy: -74.402
tors. eta vs tors. theta energy: -144.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1633.334314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.334314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.334314 (E_RNA)
where:
Base-Base interactions energy: -1090.824
where: short stacking energy: -501.449
Base-Backbone interact. energy: -1.950
local terms energy: -540.560719
where:
bonds (distance) C4'-P energy: -105.320
bonds (distance) P-C4' energy: -96.753
flat angles C4'-P-C4' energy: -115.129
flat angles P-C4'-P energy: -79.844
tors. eta vs tors. theta energy: -143.515
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: 8
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1507.369900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.369900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.369900 (E_RNA)
where:
Base-Base interactions energy: -1032.594
where: short stacking energy: -473.033
Base-Backbone interact. energy: 1.134
local terms energy: -475.909645
where:
bonds (distance) C4'-P energy: -92.222
bonds (distance) P-C4' energy: -81.763
flat angles C4'-P-C4' energy: -109.335
flat angles P-C4'-P energy: -72.740
tors. eta vs tors. theta energy: -119.849
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: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1462.500853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.500853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.500853 (E_RNA)
where:
Base-Base interactions energy: -973.575
where: short stacking energy: -437.672
Base-Backbone interact. energy: 2.111
local terms energy: -491.037187
where:
bonds (distance) C4'-P energy: -89.260
bonds (distance) P-C4' energy: -98.439
flat angles C4'-P-C4' energy: -108.240
flat angles P-C4'-P energy: -83.060
tors. eta vs tors. theta energy: -112.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1343.344698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.344698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.344698 (E_RNA)
where:
Base-Base interactions energy: -886.047
where: short stacking energy: -396.496
Base-Backbone interact. energy: 0.342
local terms energy: -457.639501
where:
bonds (distance) C4'-P energy: -88.116
bonds (distance) P-C4' energy: -104.503
flat angles C4'-P-C4' energy: -104.113
flat angles P-C4'-P energy: -61.131
tors. eta vs tors. theta energy: -99.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1262.961445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.961445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.961445 (E_RNA)
where:
Base-Base interactions energy: -833.822
where: short stacking energy: -362.931
Base-Backbone interact. energy: 0.968
local terms energy: -430.107326
where:
bonds (distance) C4'-P energy: -89.214
bonds (distance) P-C4' energy: -99.700
flat angles C4'-P-C4' energy: -99.451
flat angles P-C4'-P energy: -57.625
tors. eta vs tors. theta energy: -84.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1207.913900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.913900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.913900 (E_RNA)
where:
Base-Base interactions energy: -784.168
where: short stacking energy: -341.049
Base-Backbone interact. energy: -2.769
local terms energy: -420.976592
where:
bonds (distance) C4'-P energy: -87.817
bonds (distance) P-C4' energy: -89.451
flat angles C4'-P-C4' energy: -85.630
flat angles P-C4'-P energy: -72.691
tors. eta vs tors. theta energy: -85.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -762.297398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.297398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.297398 (E_RNA)
where:
Base-Base interactions energy: -415.756
where: short stacking energy: -225.806
Base-Backbone interact. energy: 4.037
local terms energy: -350.578303
where:
bonds (distance) C4'-P energy: -96.512
bonds (distance) P-C4' energy: -106.612
flat angles C4'-P-C4' energy: -76.098
flat angles P-C4'-P energy: -47.248
tors. eta vs tors. theta energy: -24.108
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: 129
Temperature: 1.350000
Total energy: -486.494531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.494531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.494531 (E_RNA)
where:
Base-Base interactions energy: -222.649
where: short stacking energy: -150.505
Base-Backbone interact. energy: -0.368
local terms energy: -263.477899
where:
bonds (distance) C4'-P energy: -70.178
bonds (distance) P-C4' energy: -89.793
flat angles C4'-P-C4' energy: -70.197
flat angles P-C4'-P energy: -44.277
tors. eta vs tors. theta energy: 10.967
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: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1820.031201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.031201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.031201 (E_RNA)
where:
Base-Base interactions energy: -1245.543
where: short stacking energy: -519.964
Base-Backbone interact. energy: -3.103
local terms energy: -571.384981
where:
bonds (distance) C4'-P energy: -106.608
bonds (distance) P-C4' energy: -109.055
flat angles C4'-P-C4' energy: -125.960
flat angles P-C4'-P energy: -75.317
tors. eta vs tors. theta energy: -154.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1735.456107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.456107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.456107 (E_RNA)
where:
Base-Base interactions energy: -1160.321
where: short stacking energy: -488.418
Base-Backbone interact. energy: -2.895
local terms energy: -572.239964
where:
bonds (distance) C4'-P energy: -113.902
bonds (distance) P-C4' energy: -112.833
flat angles C4'-P-C4' energy: -110.576
flat angles P-C4'-P energy: -91.803
tors. eta vs tors. theta energy: -143.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1590.987482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.987482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.987482 (E_RNA)
where:
Base-Base interactions energy: -1060.031
where: short stacking energy: -478.472
Base-Backbone interact. energy: -1.154
local terms energy: -529.801834
where:
bonds (distance) C4'-P energy: -100.975
bonds (distance) P-C4' energy: -105.617
flat angles C4'-P-C4' energy: -113.225
flat angles P-C4'-P energy: -85.374
tors. eta vs tors. theta energy: -124.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1502.400067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.400067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.400067 (E_RNA)
where:
Base-Base interactions energy: -1020.595
where: short stacking energy: -446.077
Base-Backbone interact. energy: 1.227
local terms energy: -483.032047
where:
bonds (distance) C4'-P energy: -93.789
bonds (distance) P-C4' energy: -99.156
flat angles C4'-P-C4' energy: -98.972
flat angles P-C4'-P energy: -81.901
tors. eta vs tors. theta energy: -109.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1461.592330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.592330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.592330 (E_RNA)
where:
Base-Base interactions energy: -998.245
where: short stacking energy: -442.507
Base-Backbone interact. energy: -1.881
local terms energy: -461.466462
where:
bonds (distance) C4'-P energy: -82.800
bonds (distance) P-C4' energy: -90.115
flat angles C4'-P-C4' energy: -100.536
flat angles P-C4'-P energy: -73.327
tors. eta vs tors. theta energy: -114.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1380.261597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.261597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.261597 (E_RNA)
where:
Base-Base interactions energy: -945.182
where: short stacking energy: -405.826
Base-Backbone interact. energy: 0.952
local terms energy: -436.031588
where:
bonds (distance) C4'-P energy: -74.522
bonds (distance) P-C4' energy: -97.417
flat angles C4'-P-C4' energy: -105.310
flat angles P-C4'-P energy: -68.751
tors. eta vs tors. theta energy: -90.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1223.040545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.040545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.040545 (E_RNA)
where:
Base-Base interactions energy: -794.490
where: short stacking energy: -343.526
Base-Backbone interact. energy: -1.904
local terms energy: -426.646063
where:
bonds (distance) C4'-P energy: -92.584
bonds (distance) P-C4' energy: -90.480
flat angles C4'-P-C4' energy: -101.388
flat angles P-C4'-P energy: -63.974
tors. eta vs tors. theta energy: -78.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1231.865944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.865944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.865944 (E_RNA)
where:
Base-Base interactions energy: -828.739
where: short stacking energy: -368.999
Base-Backbone interact. energy: 5.413
local terms energy: -408.539972
where:
bonds (distance) C4'-P energy: -96.278
bonds (distance) P-C4' energy: -93.944
flat angles C4'-P-C4' energy: -84.037
flat angles P-C4'-P energy: -60.367
tors. eta vs tors. theta energy: -73.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -813.800329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.800329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.800329 (E_RNA)
where:
Base-Base interactions energy: -463.873
where: short stacking energy: -255.455
Base-Backbone interact. energy: -1.120
local terms energy: -348.806800
where:
bonds (distance) C4'-P energy: -93.694
bonds (distance) P-C4' energy: -99.854
flat angles C4'-P-C4' energy: -81.065
flat angles P-C4'-P energy: -39.196
tors. eta vs tors. theta energy: -34.998
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: 130
Temperature: 1.350000
Total energy: -519.231002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.231002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.231002 (E_RNA)
where:
Base-Base interactions energy: -245.890
where: short stacking energy: -140.985
Base-Backbone interact. energy: 1.221
local terms energy: -274.561434
where:
bonds (distance) C4'-P energy: -74.173
bonds (distance) P-C4' energy: -102.216
flat angles C4'-P-C4' energy: -67.756
flat angles P-C4'-P energy: -39.730
tors. eta vs tors. theta energy: 9.314
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: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1819.456221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.456221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.456221 (E_RNA)
where:
Base-Base interactions energy: -1250.708
where: short stacking energy: -497.079
Base-Backbone interact. energy: -2.053
local terms energy: -566.695516
where:
bonds (distance) C4'-P energy: -101.916
bonds (distance) P-C4' energy: -107.341
flat angles C4'-P-C4' energy: -122.445
flat angles P-C4'-P energy: -85.511
tors. eta vs tors. theta energy: -149.483
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: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1765.080212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.080212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.080212 (E_RNA)
where:
Base-Base interactions energy: -1224.187
where: short stacking energy: -517.599
Base-Backbone interact. energy: -2.465
local terms energy: -538.428384
where:
bonds (distance) C4'-P energy: -94.269
bonds (distance) P-C4' energy: -109.199
flat angles C4'-P-C4' energy: -124.320
flat angles P-C4'-P energy: -61.097
tors. eta vs tors. theta energy: -149.543
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: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1570.330766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.330766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.330766 (E_RNA)
where:
Base-Base interactions energy: -1041.423
where: short stacking energy: -461.717
Base-Backbone interact. energy: -1.307
local terms energy: -527.600453
where:
bonds (distance) C4'-P energy: -89.010
bonds (distance) P-C4' energy: -108.272
flat angles C4'-P-C4' energy: -113.836
flat angles P-C4'-P energy: -86.281
tors. eta vs tors. theta energy: -130.201
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: 8
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1507.217361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.217361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.217361 (E_RNA)
where:
Base-Base interactions energy: -1042.772
where: short stacking energy: -432.089
Base-Backbone interact. energy: 8.030
local terms energy: -472.475802
where:
bonds (distance) C4'-P energy: -90.229
bonds (distance) P-C4' energy: -105.994
flat angles C4'-P-C4' energy: -96.475
flat angles P-C4'-P energy: -66.219
tors. eta vs tors. theta energy: -113.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1460.165294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.165294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.165294 (E_RNA)
where:
Base-Base interactions energy: -991.514
where: short stacking energy: -427.686
Base-Backbone interact. energy: 2.437
local terms energy: -471.088206
where:
bonds (distance) C4'-P energy: -105.628
bonds (distance) P-C4' energy: -82.836
flat angles C4'-P-C4' energy: -103.946
flat angles P-C4'-P energy: -75.192
tors. eta vs tors. theta energy: -103.486
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: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1404.185048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.185048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.185048 (E_RNA)
where:
Base-Base interactions energy: -928.713
where: short stacking energy: -419.377
Base-Backbone interact. energy: -2.721
local terms energy: -472.751376
where:
bonds (distance) C4'-P energy: -90.013
bonds (distance) P-C4' energy: -91.351
flat angles C4'-P-C4' energy: -109.256
flat angles P-C4'-P energy: -63.258
tors. eta vs tors. theta energy: -118.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1194.550662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.550662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.550662 (E_RNA)
where:
Base-Base interactions energy: -791.157
where: short stacking energy: -346.988
Base-Backbone interact. energy: 2.409
local terms energy: -405.802656
where:
bonds (distance) C4'-P energy: -93.550
bonds (distance) P-C4' energy: -85.475
flat angles C4'-P-C4' energy: -99.755
flat angles P-C4'-P energy: -47.523
tors. eta vs tors. theta energy: -79.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1192.323631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.323631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.323631 (E_RNA)
where:
Base-Base interactions energy: -787.313
where: short stacking energy: -356.659
Base-Backbone interact. energy: -3.358
local terms energy: -401.652719
where:
bonds (distance) C4'-P energy: -86.574
bonds (distance) P-C4' energy: -88.368
flat angles C4'-P-C4' energy: -97.275
flat angles P-C4'-P energy: -59.053
tors. eta vs tors. theta energy: -70.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -784.506112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.506112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.506112 (E_RNA)
where:
Base-Base interactions energy: -456.398
where: short stacking energy: -218.349
Base-Backbone interact. energy: -0.994
local terms energy: -327.114529
where:
bonds (distance) C4'-P energy: -96.403
bonds (distance) P-C4' energy: -72.345
flat angles C4'-P-C4' energy: -74.978
flat angles P-C4'-P energy: -65.832
tors. eta vs tors. theta energy: -17.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -492.111504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.111504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.111504 (E_RNA)
where:
Base-Base interactions energy: -212.978
where: short stacking energy: -122.753
Base-Backbone interact. energy: 2.074
local terms energy: -281.207313
where:
bonds (distance) C4'-P energy: -73.566
bonds (distance) P-C4' energy: -95.171
flat angles C4'-P-C4' energy: -67.629
flat angles P-C4'-P energy: -59.327
tors. eta vs tors. theta energy: 14.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1839.528527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.528527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.528527 (E_RNA)
where:
Base-Base interactions energy: -1264.297
where: short stacking energy: -513.273
Base-Backbone interact. energy: -5.397
local terms energy: -569.834027
where:
bonds (distance) C4'-P energy: -101.272
bonds (distance) P-C4' energy: -105.837
flat angles C4'-P-C4' energy: -126.871
flat angles P-C4'-P energy: -84.744
tors. eta vs tors. theta energy: -151.110
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: 132
Temperature: 0.950000
Total energy: -1760.992080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.992080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.992080 (E_RNA)
where:
Base-Base interactions energy: -1207.890
where: short stacking energy: -501.788
Base-Backbone interact. energy: -4.566
local terms energy: -548.535638
where:
bonds (distance) C4'-P energy: -111.414
bonds (distance) P-C4' energy: -103.363
flat angles C4'-P-C4' energy: -115.414
flat angles P-C4'-P energy: -70.385
tors. eta vs tors. theta energy: -147.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1551.802244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.802244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.802244 (E_RNA)
where:
Base-Base interactions energy: -1029.579
where: short stacking energy: -464.573
Base-Backbone interact. energy: 0.154
local terms energy: -522.377360
where:
bonds (distance) C4'-P energy: -94.971
bonds (distance) P-C4' energy: -108.014
flat angles C4'-P-C4' energy: -103.782
flat angles P-C4'-P energy: -89.466
tors. eta vs tors. theta energy: -126.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1498.465280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.465280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.465280 (E_RNA)
where:
Base-Base interactions energy: -1005.716
where: short stacking energy: -411.441
Base-Backbone interact. energy: 1.756
local terms energy: -494.505565
where:
bonds (distance) C4'-P energy: -102.907
bonds (distance) P-C4' energy: -109.901
flat angles C4'-P-C4' energy: -105.740
flat angles P-C4'-P energy: -73.085
tors. eta vs tors. theta energy: -102.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1475.492049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.492049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.492049 (E_RNA)
where:
Base-Base interactions energy: -998.374
where: short stacking energy: -448.692
Base-Backbone interact. energy: -0.704
local terms energy: -476.413740
where:
bonds (distance) C4'-P energy: -83.217
bonds (distance) P-C4' energy: -92.275
flat angles C4'-P-C4' energy: -110.136
flat angles P-C4'-P energy: -66.617
tors. eta vs tors. theta energy: -124.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1387.901254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.901254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.901254 (E_RNA)
where:
Base-Base interactions energy: -921.122
where: short stacking energy: -405.290
Base-Backbone interact. energy: 0.079
local terms energy: -466.857428
where:
bonds (distance) C4'-P energy: -96.293
bonds (distance) P-C4' energy: -88.463
flat angles C4'-P-C4' energy: -107.523
flat angles P-C4'-P energy: -60.898
tors. eta vs tors. theta energy: -113.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1252.656069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.656069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.656069 (E_RNA)
where:
Base-Base interactions energy: -825.453
where: short stacking energy: -370.882
Base-Backbone interact. energy: 0.112
local terms energy: -427.315244
where:
bonds (distance) C4'-P energy: -85.893
bonds (distance) P-C4' energy: -93.841
flat angles C4'-P-C4' energy: -100.374
flat angles P-C4'-P energy: -57.979
tors. eta vs tors. theta energy: -89.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1235.661756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.661756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.661756 (E_RNA)
where:
Base-Base interactions energy: -805.499
where: short stacking energy: -355.910
Base-Backbone interact. energy: -0.244
local terms energy: -429.918910
where:
bonds (distance) C4'-P energy: -91.331
bonds (distance) P-C4' energy: -96.237
flat angles C4'-P-C4' energy: -97.338
flat angles P-C4'-P energy: -64.813
tors. eta vs tors. theta energy: -80.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -802.488956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.488956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.488956 (E_RNA)
where:
Base-Base interactions energy: -463.178
where: short stacking energy: -227.562
Base-Backbone interact. energy: -1.308
local terms energy: -338.002412
where:
bonds (distance) C4'-P energy: -84.509
bonds (distance) P-C4' energy: -107.820
flat angles C4'-P-C4' energy: -69.916
flat angles P-C4'-P energy: -53.702
tors. eta vs tors. theta energy: -22.056
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: 132
Temperature: 1.350000
Total energy: -526.044245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.044245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.044245 (E_RNA)
where:
Base-Base interactions energy: -216.672
where: short stacking energy: -144.598
Base-Backbone interact. energy: 0.559
local terms energy: -309.931987
where:
bonds (distance) C4'-P energy: -92.212
bonds (distance) P-C4' energy: -104.968
flat angles C4'-P-C4' energy: -71.713
flat angles P-C4'-P energy: -34.097
tors. eta vs tors. theta energy: -6.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1850.815182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.815182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.815182 (E_RNA)
where:
Base-Base interactions energy: -1292.406
where: short stacking energy: -547.467
Base-Backbone interact. energy: -3.446
local terms energy: -554.962710
where:
bonds (distance) C4'-P energy: -106.764
bonds (distance) P-C4' energy: -100.497
flat angles C4'-P-C4' energy: -129.254
flat angles P-C4'-P energy: -73.437
tors. eta vs tors. theta energy: -145.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1738.539265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.539265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.539265 (E_RNA)
where:
Base-Base interactions energy: -1202.761
where: short stacking energy: -524.948
Base-Backbone interact. energy: -2.784
local terms energy: -532.993724
where:
bonds (distance) C4'-P energy: -100.586
bonds (distance) P-C4' energy: -104.099
flat angles C4'-P-C4' energy: -121.065
flat angles P-C4'-P energy: -69.393
tors. eta vs tors. theta energy: -137.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1572.290783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.290783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.290783 (E_RNA)
where:
Base-Base interactions energy: -1037.213
where: short stacking energy: -473.622
Base-Backbone interact. energy: -0.979
local terms energy: -534.098024
where:
bonds (distance) C4'-P energy: -113.918
bonds (distance) P-C4' energy: -105.123
flat angles C4'-P-C4' energy: -107.728
flat angles P-C4'-P energy: -79.652
tors. eta vs tors. theta energy: -127.677
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: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1541.642269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.642269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.642269 (E_RNA)
where:
Base-Base interactions energy: -1057.654
where: short stacking energy: -421.897
Base-Backbone interact. energy: 0.070
local terms energy: -484.057720
where:
bonds (distance) C4'-P energy: -101.042
bonds (distance) P-C4' energy: -104.622
flat angles C4'-P-C4' energy: -97.259
flat angles P-C4'-P energy: -69.419
tors. eta vs tors. theta energy: -111.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1467.675006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.675006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.675006 (E_RNA)
where:
Base-Base interactions energy: -954.202
where: short stacking energy: -438.368
Base-Backbone interact. energy: 1.297
local terms energy: -514.770565
where:
bonds (distance) C4'-P energy: -97.227
bonds (distance) P-C4' energy: -102.312
flat angles C4'-P-C4' energy: -112.115
flat angles P-C4'-P energy: -74.276
tors. eta vs tors. theta energy: -128.842
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: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1402.553984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.553984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.553984 (E_RNA)
where:
Base-Base interactions energy: -925.967
where: short stacking energy: -422.958
Base-Backbone interact. energy: -3.965
local terms energy: -472.621720
where:
bonds (distance) C4'-P energy: -94.987
bonds (distance) P-C4' energy: -99.363
flat angles C4'-P-C4' energy: -92.844
flat angles P-C4'-P energy: -74.449
tors. eta vs tors. theta energy: -110.979
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: 7, replica: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1252.975273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.975273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.975273 (E_RNA)
where:
Base-Base interactions energy: -828.230
where: short stacking energy: -381.393
Base-Backbone interact. energy: 1.690
local terms energy: -426.435624
where:
bonds (distance) C4'-P energy: -93.556
bonds (distance) P-C4' energy: -84.841
flat angles C4'-P-C4' energy: -96.621
flat angles P-C4'-P energy: -63.412
tors. eta vs tors. theta energy: -88.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1219.892401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.892401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.892401 (E_RNA)
where:
Base-Base interactions energy: -811.295
where: short stacking energy: -351.836
Base-Backbone interact. energy: -2.218
local terms energy: -406.379381
where:
bonds (distance) C4'-P energy: -71.660
bonds (distance) P-C4' energy: -96.872
flat angles C4'-P-C4' energy: -97.606
flat angles P-C4'-P energy: -66.951
tors. eta vs tors. theta energy: -73.290
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: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -773.125413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.125413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.125413 (E_RNA)
where:
Base-Base interactions energy: -458.576
where: short stacking energy: -217.233
Base-Backbone interact. energy: 3.380
local terms energy: -317.930007
where:
bonds (distance) C4'-P energy: -76.481
bonds (distance) P-C4' energy: -94.920
flat angles C4'-P-C4' energy: -71.507
flat angles P-C4'-P energy: -54.519
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -592.847279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.847279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.847279 (E_RNA)
where:
Base-Base interactions energy: -293.814
where: short stacking energy: -170.634
Base-Backbone interact. energy: 4.480
local terms energy: -303.512674
where:
bonds (distance) C4'-P energy: -86.528
bonds (distance) P-C4' energy: -94.441
flat angles C4'-P-C4' energy: -71.389
flat angles P-C4'-P energy: -48.817
tors. eta vs tors. theta energy: -2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1855.232324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.232324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.232324 (E_RNA)
where:
Base-Base interactions energy: -1263.289
where: short stacking energy: -544.360
Base-Backbone interact. energy: -6.481
local terms energy: -585.462258
where:
bonds (distance) C4'-P energy: -111.649
bonds (distance) P-C4' energy: -110.968
flat angles C4'-P-C4' energy: -118.841
flat angles P-C4'-P energy: -83.101
tors. eta vs tors. theta energy: -160.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1730.366321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.366321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.366321 (E_RNA)
where:
Base-Base interactions energy: -1183.197
where: short stacking energy: -516.168
Base-Backbone interact. energy: -5.025
local terms energy: -542.144727
where:
bonds (distance) C4'-P energy: -92.075
bonds (distance) P-C4' energy: -105.832
flat angles C4'-P-C4' energy: -121.913
flat angles P-C4'-P energy: -73.375
tors. eta vs tors. theta energy: -148.949
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: 7
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1600.738375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.738375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.738375 (E_RNA)
where:
Base-Base interactions energy: -1068.154
where: short stacking energy: -488.142
Base-Backbone interact. energy: -0.095
local terms energy: -532.489394
where:
bonds (distance) C4'-P energy: -98.023
bonds (distance) P-C4' energy: -115.511
flat angles C4'-P-C4' energy: -107.893
flat angles P-C4'-P energy: -72.831
tors. eta vs tors. theta energy: -138.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1511.640513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.640513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.640513 (E_RNA)
where:
Base-Base interactions energy: -1029.497
where: short stacking energy: -437.634
Base-Backbone interact. energy: -0.410
local terms energy: -481.733693
where:
bonds (distance) C4'-P energy: -101.201
bonds (distance) P-C4' energy: -108.138
flat angles C4'-P-C4' energy: -106.975
flat angles P-C4'-P energy: -60.350
tors. eta vs tors. theta energy: -105.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1461.922379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.922379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.922379 (E_RNA)
where:
Base-Base interactions energy: -954.744
where: short stacking energy: -413.331
Base-Backbone interact. energy: -3.398
local terms energy: -503.780721
where:
bonds (distance) C4'-P energy: -95.172
bonds (distance) P-C4' energy: -117.401
flat angles C4'-P-C4' energy: -106.827
flat angles P-C4'-P energy: -71.281
tors. eta vs tors. theta energy: -113.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1413.947990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.947990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.947990 (E_RNA)
where:
Base-Base interactions energy: -950.676
where: short stacking energy: -421.806
Base-Backbone interact. energy: -0.883
local terms energy: -462.389641
where:
bonds (distance) C4'-P energy: -91.637
bonds (distance) P-C4' energy: -86.698
flat angles C4'-P-C4' energy: -101.471
flat angles P-C4'-P energy: -66.034
tors. eta vs tors. theta energy: -116.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1268.995314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.995314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.995314 (E_RNA)
where:
Base-Base interactions energy: -835.813
where: short stacking energy: -343.276
Base-Backbone interact. energy: 2.712
local terms energy: -435.893465
where:
bonds (distance) C4'-P energy: -87.920
bonds (distance) P-C4' energy: -104.773
flat angles C4'-P-C4' energy: -93.147
flat angles P-C4'-P energy: -65.958
tors. eta vs tors. theta energy: -84.096
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: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1239.592750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.592750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.592750 (E_RNA)
where:
Base-Base interactions energy: -820.029
where: short stacking energy: -376.388
Base-Backbone interact. energy: -1.084
local terms energy: -418.480534
where:
bonds (distance) C4'-P energy: -93.064
bonds (distance) P-C4' energy: -73.295
flat angles C4'-P-C4' energy: -82.139
flat angles P-C4'-P energy: -69.677
tors. eta vs tors. theta energy: -100.306
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: 3
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -790.872437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.872437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.872437 (E_RNA)
where:
Base-Base interactions energy: -453.652
where: short stacking energy: -238.618
Base-Backbone interact. energy: 1.787
local terms energy: -339.007151
where:
bonds (distance) C4'-P energy: -88.080
bonds (distance) P-C4' energy: -93.678
flat angles C4'-P-C4' energy: -66.753
flat angles P-C4'-P energy: -51.507
tors. eta vs tors. theta energy: -38.990
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: 134
Temperature: 1.350000
Total energy: -589.687819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.687819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.687819 (E_RNA)
where:
Base-Base interactions energy: -294.198
where: short stacking energy: -161.063
Base-Backbone interact. energy: -0.983
local terms energy: -294.506305
where:
bonds (distance) C4'-P energy: -80.813
bonds (distance) P-C4' energy: -95.887
flat angles C4'-P-C4' energy: -78.998
flat angles P-C4'-P energy: -39.783
tors. eta vs tors. theta energy: 0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1825.233936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.233936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.233936 (E_RNA)
where:
Base-Base interactions energy: -1239.914
where: short stacking energy: -533.121
Base-Backbone interact. energy: -3.069
local terms energy: -582.250823
where:
bonds (distance) C4'-P energy: -102.666
bonds (distance) P-C4' energy: -116.898
flat angles C4'-P-C4' energy: -133.363
flat angles P-C4'-P energy: -77.788
tors. eta vs tors. theta energy: -151.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1728.797931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.797931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.797931 (E_RNA)
where:
Base-Base interactions energy: -1190.190
where: short stacking energy: -482.331
Base-Backbone interact. energy: -2.855
local terms energy: -535.753016
where:
bonds (distance) C4'-P energy: -99.940
bonds (distance) P-C4' energy: -109.970
flat angles C4'-P-C4' energy: -123.582
flat angles P-C4'-P energy: -67.393
tors. eta vs tors. theta energy: -134.868
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: 3, replica: 7
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1623.750133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.750133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.750133 (E_RNA)
where:
Base-Base interactions energy: -1116.385
where: short stacking energy: -495.691
Base-Backbone interact. energy: -1.519
local terms energy: -505.846024
where:
bonds (distance) C4'-P energy: -94.486
bonds (distance) P-C4' energy: -116.385
flat angles C4'-P-C4' energy: -100.297
flat angles P-C4'-P energy: -67.966
tors. eta vs tors. theta energy: -126.712
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: 8
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1515.805294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.805294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.805294 (E_RNA)
where:
Base-Base interactions energy: -1012.882
where: short stacking energy: -431.765
Base-Backbone interact. energy: -0.271
local terms energy: -502.653181
where:
bonds (distance) C4'-P energy: -103.176
bonds (distance) P-C4' energy: -99.015
flat angles C4'-P-C4' energy: -109.335
flat angles P-C4'-P energy: -81.715
tors. eta vs tors. theta energy: -109.413
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: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1427.975161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.975161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.975161 (E_RNA)
where:
Base-Base interactions energy: -963.898
where: short stacking energy: -417.764
Base-Backbone interact. energy: -1.262
local terms energy: -462.815596
where:
bonds (distance) C4'-P energy: -83.625
bonds (distance) P-C4' energy: -91.934
flat angles C4'-P-C4' energy: -114.212
flat angles P-C4'-P energy: -70.948
tors. eta vs tors. theta energy: -102.097
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: 135
Temperature: 1.150000
Total energy: -1460.048378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.048378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.048378 (E_RNA)
where:
Base-Base interactions energy: -965.045
where: short stacking energy: -413.354
Base-Backbone interact. energy: -1.455
local terms energy: -493.548624
where:
bonds (distance) C4'-P energy: -106.397
bonds (distance) P-C4' energy: -100.064
flat angles C4'-P-C4' energy: -102.386
flat angles P-C4'-P energy: -66.551
tors. eta vs tors. theta energy: -118.151
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: 135
Temperature: 1.200000
Total energy: -1233.416449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.416449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.416449 (E_RNA)
where:
Base-Base interactions energy: -804.937
where: short stacking energy: -376.357
Base-Backbone interact. energy: -1.657
local terms energy: -426.822735
where:
bonds (distance) C4'-P energy: -82.538
bonds (distance) P-C4' energy: -88.966
flat angles C4'-P-C4' energy: -105.247
flat angles P-C4'-P energy: -61.454
tors. eta vs tors. theta energy: -88.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1204.499613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.499613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.499613 (E_RNA)
where:
Base-Base interactions energy: -785.266
where: short stacking energy: -334.412
Base-Backbone interact. energy: -2.543
local terms energy: -416.690795
where:
bonds (distance) C4'-P energy: -90.645
bonds (distance) P-C4' energy: -82.309
flat angles C4'-P-C4' energy: -89.722
flat angles P-C4'-P energy: -63.489
tors. eta vs tors. theta energy: -90.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -751.269457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.269457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.269457 (E_RNA)
where:
Base-Base interactions energy: -451.788
where: short stacking energy: -219.606
Base-Backbone interact. energy: 0.145
local terms energy: -299.626096
where:
bonds (distance) C4'-P energy: -86.605
bonds (distance) P-C4' energy: -78.048
flat angles C4'-P-C4' energy: -90.794
flat angles P-C4'-P energy: -34.222
tors. eta vs tors. theta energy: -9.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -627.470028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.470028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.470028 (E_RNA)
where:
Base-Base interactions energy: -327.257
where: short stacking energy: -169.802
Base-Backbone interact. energy: 0.561
local terms energy: -300.773629
where:
bonds (distance) C4'-P energy: -91.675
bonds (distance) P-C4' energy: -84.120
flat angles C4'-P-C4' energy: -88.210
flat angles P-C4'-P energy: -40.876
tors. eta vs tors. theta energy: 4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1834.346622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.346622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.346622 (E_RNA)
where:
Base-Base interactions energy: -1243.295
where: short stacking energy: -528.619
Base-Backbone interact. energy: -3.534
local terms energy: -587.517369
where:
bonds (distance) C4'-P energy: -106.975
bonds (distance) P-C4' energy: -123.797
flat angles C4'-P-C4' energy: -121.422
flat angles P-C4'-P energy: -82.400
tors. eta vs tors. theta energy: -152.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1711.874452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.874452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.874452 (E_RNA)
where:
Base-Base interactions energy: -1171.820
where: short stacking energy: -482.193
Base-Backbone interact. energy: -1.835
local terms energy: -538.219824
where:
bonds (distance) C4'-P energy: -110.250
bonds (distance) P-C4' energy: -102.754
flat angles C4'-P-C4' energy: -118.424
flat angles P-C4'-P energy: -71.361
tors. eta vs tors. theta energy: -135.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1638.841327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.841327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.841327 (E_RNA)
where:
Base-Base interactions energy: -1097.748
where: short stacking energy: -484.067
Base-Backbone interact. energy: 0.807
local terms energy: -541.899970
where:
bonds (distance) C4'-P energy: -98.739
bonds (distance) P-C4' energy: -118.327
flat angles C4'-P-C4' energy: -114.491
flat angles P-C4'-P energy: -78.564
tors. eta vs tors. theta energy: -131.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1489.827521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.827521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.827521 (E_RNA)
where:
Base-Base interactions energy: -958.281
where: short stacking energy: -417.258
Base-Backbone interact. energy: -1.863
local terms energy: -529.683286
where:
bonds (distance) C4'-P energy: -121.489
bonds (distance) P-C4' energy: -105.437
flat angles C4'-P-C4' energy: -107.975
flat angles P-C4'-P energy: -81.653
tors. eta vs tors. theta energy: -113.130
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: 5, replica: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1507.066693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.066693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.066693 (E_RNA)
where:
Base-Base interactions energy: -1004.316
where: short stacking energy: -458.218
Base-Backbone interact. energy: -0.528
local terms energy: -502.222292
where:
bonds (distance) C4'-P energy: -97.003
bonds (distance) P-C4' energy: -98.325
flat angles C4'-P-C4' energy: -113.675
flat angles P-C4'-P energy: -74.984
tors. eta vs tors. theta energy: -118.237
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: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1417.631971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.631971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.631971 (E_RNA)
where:
Base-Base interactions energy: -958.201
where: short stacking energy: -423.532
Base-Backbone interact. energy: -3.745
local terms energy: -455.686052
where:
bonds (distance) C4'-P energy: -87.630
bonds (distance) P-C4' energy: -89.699
flat angles C4'-P-C4' energy: -110.069
flat angles P-C4'-P energy: -53.813
tors. eta vs tors. theta energy: -114.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1235.449757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.449757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.449757 (E_RNA)
where:
Base-Base interactions energy: -807.584
where: short stacking energy: -364.438
Base-Backbone interact. energy: -1.953
local terms energy: -425.912768
where:
bonds (distance) C4'-P energy: -86.850
bonds (distance) P-C4' energy: -102.745
flat angles C4'-P-C4' energy: -96.018
flat angles P-C4'-P energy: -54.979
tors. eta vs tors. theta energy: -85.321
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: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1169.719092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.719092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.719092 (E_RNA)
where:
Base-Base interactions energy: -794.883
where: short stacking energy: -355.687
Base-Backbone interact. energy: 3.152
local terms energy: -377.987609
where:
bonds (distance) C4'-P energy: -87.703
bonds (distance) P-C4' energy: -82.734
flat angles C4'-P-C4' energy: -90.914
flat angles P-C4'-P energy: -54.970
tors. eta vs tors. theta energy: -61.666
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: 3
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -726.662150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.662150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.662150 (E_RNA)
where:
Base-Base interactions energy: -400.537
where: short stacking energy: -224.537
Base-Backbone interact. energy: 7.098
local terms energy: -333.222580
where:
bonds (distance) C4'-P energy: -86.284
bonds (distance) P-C4' energy: -101.896
flat angles C4'-P-C4' energy: -83.119
flat angles P-C4'-P energy: -49.752
tors. eta vs tors. theta energy: -12.172
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: 136
Temperature: 1.350000
Total energy: -621.849626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.849626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.849626 (E_RNA)
where:
Base-Base interactions energy: -292.810
where: short stacking energy: -184.885
Base-Backbone interact. energy: 0.218
local terms energy: -329.257344
where:
bonds (distance) C4'-P energy: -93.096
bonds (distance) P-C4' energy: -93.439
flat angles C4'-P-C4' energy: -81.288
flat angles P-C4'-P energy: -54.886
tors. eta vs tors. theta energy: -6.549
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: 4
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1816.585281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.585281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.585281 (E_RNA)
where:
Base-Base interactions energy: -1236.960
where: short stacking energy: -519.524
Base-Backbone interact. energy: -5.068
local terms energy: -574.557079
where:
bonds (distance) C4'-P energy: -104.645
bonds (distance) P-C4' energy: -102.740
flat angles C4'-P-C4' energy: -121.026
flat angles P-C4'-P energy: -87.046
tors. eta vs tors. theta energy: -159.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1760.859922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.859922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.859922 (E_RNA)
where:
Base-Base interactions energy: -1199.345
where: short stacking energy: -514.025
Base-Backbone interact. energy: -1.054
local terms energy: -560.460453
where:
bonds (distance) C4'-P energy: -102.232
bonds (distance) P-C4' energy: -101.922
flat angles C4'-P-C4' energy: -117.386
flat angles P-C4'-P energy: -85.445
tors. eta vs tors. theta energy: -153.475
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: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1620.085095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.085095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.085095 (E_RNA)
where:
Base-Base interactions energy: -1081.474
where: short stacking energy: -470.716
Base-Backbone interact. energy: -5.169
local terms energy: -533.441959
where:
bonds (distance) C4'-P energy: -98.546
bonds (distance) P-C4' energy: -104.528
flat angles C4'-P-C4' energy: -121.011
flat angles P-C4'-P energy: -83.907
tors. eta vs tors. theta energy: -125.450
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: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1532.713291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.713291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.713291 (E_RNA)
where:
Base-Base interactions energy: -1012.549
where: short stacking energy: -469.324
Base-Backbone interact. energy: -2.829
local terms energy: -517.335584
where:
bonds (distance) C4'-P energy: -87.694
bonds (distance) P-C4' energy: -99.661
flat angles C4'-P-C4' energy: -115.017
flat angles P-C4'-P energy: -79.420
tors. eta vs tors. theta energy: -135.544
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: 8
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1398.546109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.546109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.546109 (E_RNA)
where:
Base-Base interactions energy: -922.510
where: short stacking energy: -393.372
Base-Backbone interact. energy: -0.734
local terms energy: -475.301830
where:
bonds (distance) C4'-P energy: -104.854
bonds (distance) P-C4' energy: -92.751
flat angles C4'-P-C4' energy: -108.414
flat angles P-C4'-P energy: -74.337
tors. eta vs tors. theta energy: -94.947
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: 137
Temperature: 1.150000
Total energy: -1438.007827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.007827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.007827 (E_RNA)
where:
Base-Base interactions energy: -976.131
where: short stacking energy: -420.616
Base-Backbone interact. energy: 4.517
local terms energy: -466.394132
where:
bonds (distance) C4'-P energy: -99.076
bonds (distance) P-C4' energy: -97.902
flat angles C4'-P-C4' energy: -104.823
flat angles P-C4'-P energy: -62.222
tors. eta vs tors. theta energy: -102.371
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: 137
Temperature: 1.200000
Total energy: -1237.397485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.397485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.397485 (E_RNA)
where:
Base-Base interactions energy: -821.883
where: short stacking energy: -355.902
Base-Backbone interact. energy: 2.444
local terms energy: -417.958659
where:
bonds (distance) C4'-P energy: -82.669
bonds (distance) P-C4' energy: -88.252
flat angles C4'-P-C4' energy: -101.348
flat angles P-C4'-P energy: -69.109
tors. eta vs tors. theta energy: -76.580
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: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1210.816546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.816546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.816546 (E_RNA)
where:
Base-Base interactions energy: -811.802
where: short stacking energy: -336.339
Base-Backbone interact. energy: -0.008
local terms energy: -399.006891
where:
bonds (distance) C4'-P energy: -87.444
bonds (distance) P-C4' energy: -82.029
flat angles C4'-P-C4' energy: -95.928
flat angles P-C4'-P energy: -54.872
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: 9, replica: 3
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -706.037921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.037921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.037921 (E_RNA)
where:
Base-Base interactions energy: -400.438
where: short stacking energy: -199.239
Base-Backbone interact. energy: 0.480
local terms energy: -306.079883
where:
bonds (distance) C4'-P energy: -93.694
bonds (distance) P-C4' energy: -91.611
flat angles C4'-P-C4' energy: -69.416
flat angles P-C4'-P energy: -38.639
tors. eta vs tors. theta energy: -12.720
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: 137
Temperature: 1.350000
Total energy: -649.843317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.843317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.843317 (E_RNA)
where:
Base-Base interactions energy: -329.959
where: short stacking energy: -185.823
Base-Backbone interact. energy: -0.064
local terms energy: -319.820580
where:
bonds (distance) C4'-P energy: -75.433
bonds (distance) P-C4' energy: -95.993
flat angles C4'-P-C4' energy: -79.915
flat angles P-C4'-P energy: -60.446
tors. eta vs tors. theta energy: -8.034
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: 4
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1845.569164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.569164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.569164 (E_RNA)
where:
Base-Base interactions energy: -1251.627
where: short stacking energy: -527.702
Base-Backbone interact. energy: -4.084
local terms energy: -589.857743
where:
bonds (distance) C4'-P energy: -109.074
bonds (distance) P-C4' energy: -110.227
flat angles C4'-P-C4' energy: -122.427
flat angles P-C4'-P energy: -88.222
tors. eta vs tors. theta energy: -159.907
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: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1753.511839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.511839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.511839 (E_RNA)
where:
Base-Base interactions energy: -1211.902
where: short stacking energy: -505.308
Base-Backbone interact. energy: -6.502
local terms energy: -535.108295
where:
bonds (distance) C4'-P energy: -94.631
bonds (distance) P-C4' energy: -113.604
flat angles C4'-P-C4' energy: -118.027
flat angles P-C4'-P energy: -72.261
tors. eta vs tors. theta energy: -136.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1627.252368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.252368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.252368 (E_RNA)
where:
Base-Base interactions energy: -1090.419
where: short stacking energy: -482.851
Base-Backbone interact. energy: -1.615
local terms energy: -535.218789
where:
bonds (distance) C4'-P energy: -108.630
bonds (distance) P-C4' energy: -99.856
flat angles C4'-P-C4' energy: -105.235
flat angles P-C4'-P energy: -89.257
tors. eta vs tors. theta energy: -132.240
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: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1545.044183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.044183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.044183 (E_RNA)
where:
Base-Base interactions energy: -1030.635
where: short stacking energy: -460.772
Base-Backbone interact. energy: -3.333
local terms energy: -511.076764
where:
bonds (distance) C4'-P energy: -101.219
bonds (distance) P-C4' energy: -103.225
flat angles C4'-P-C4' energy: -108.189
flat angles P-C4'-P energy: -79.175
tors. eta vs tors. theta energy: -119.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1416.072767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.072767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.072767 (E_RNA)
where:
Base-Base interactions energy: -957.466
where: short stacking energy: -423.792
Base-Backbone interact. energy: 0.353
local terms energy: -458.959245
where:
bonds (distance) C4'-P energy: -96.654
bonds (distance) P-C4' energy: -99.019
flat angles C4'-P-C4' energy: -90.982
flat angles P-C4'-P energy: -65.350
tors. eta vs tors. theta energy: -106.954
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: 138
Temperature: 1.150000
Total energy: -1427.350260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.350260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.350260 (E_RNA)
where:
Base-Base interactions energy: -952.368
where: short stacking energy: -388.141
Base-Backbone interact. energy: -0.546
local terms energy: -474.436092
where:
bonds (distance) C4'-P energy: -109.305
bonds (distance) P-C4' energy: -104.707
flat angles C4'-P-C4' energy: -96.861
flat angles P-C4'-P energy: -77.158
tors. eta vs tors. theta energy: -86.405
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: 9
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1264.224796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.224796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.224796 (E_RNA)
where:
Base-Base interactions energy: -820.245
where: short stacking energy: -355.789
Base-Backbone interact. energy: -0.354
local terms energy: -443.625908
where:
bonds (distance) C4'-P energy: -97.307
bonds (distance) P-C4' energy: -100.846
flat angles C4'-P-C4' energy: -106.943
flat angles P-C4'-P energy: -50.857
tors. eta vs tors. theta energy: -87.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1210.113360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.113360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.113360 (E_RNA)
where:
Base-Base interactions energy: -791.673
where: short stacking energy: -351.348
Base-Backbone interact. energy: -1.020
local terms energy: -417.421281
where:
bonds (distance) C4'-P energy: -95.155
bonds (distance) P-C4' energy: -82.972
flat angles C4'-P-C4' energy: -97.574
flat angles P-C4'-P energy: -56.012
tors. eta vs tors. theta energy: -85.708
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: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -739.190618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.190618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.190618 (E_RNA)
where:
Base-Base interactions energy: -407.990
where: short stacking energy: -210.086
Base-Backbone interact. energy: 0.432
local terms energy: -331.633195
where:
bonds (distance) C4'-P energy: -100.723
bonds (distance) P-C4' energy: -88.076
flat angles C4'-P-C4' energy: -75.195
flat angles P-C4'-P energy: -54.489
tors. eta vs tors. theta energy: -13.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -613.370148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.370148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.370148 (E_RNA)
where:
Base-Base interactions energy: -322.997
where: short stacking energy: -164.123
Base-Backbone interact. energy: -0.982
local terms energy: -289.390664
where:
bonds (distance) C4'-P energy: -84.324
bonds (distance) P-C4' energy: -91.897
flat angles C4'-P-C4' energy: -64.741
flat angles P-C4'-P energy: -43.923
tors. eta vs tors. theta energy: -4.505
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: 4
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1845.821773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.821773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.821773 (E_RNA)
where:
Base-Base interactions energy: -1251.697
where: short stacking energy: -550.174
Base-Backbone interact. energy: -2.140
local terms energy: -591.985256
where:
bonds (distance) C4'-P energy: -111.408
bonds (distance) P-C4' energy: -117.573
flat angles C4'-P-C4' energy: -124.775
flat angles P-C4'-P energy: -78.244
tors. eta vs tors. theta energy: -159.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1782.421674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.421674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.421674 (E_RNA)
where:
Base-Base interactions energy: -1228.266
where: short stacking energy: -516.886
Base-Backbone interact. energy: -2.517
local terms energy: -551.638767
where:
bonds (distance) C4'-P energy: -106.914
bonds (distance) P-C4' energy: -100.128
flat angles C4'-P-C4' energy: -117.997
flat angles P-C4'-P energy: -85.554
tors. eta vs tors. theta energy: -141.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1617.672903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.672903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.672903 (E_RNA)
where:
Base-Base interactions energy: -1077.321
where: short stacking energy: -476.447
Base-Backbone interact. energy: -1.787
local terms energy: -538.564879
where:
bonds (distance) C4'-P energy: -97.440
bonds (distance) P-C4' energy: -111.257
flat angles C4'-P-C4' energy: -122.981
flat angles P-C4'-P energy: -75.929
tors. eta vs tors. theta energy: -130.958
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: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1591.637480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.637480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.637480 (E_RNA)
where:
Base-Base interactions energy: -1085.334
where: short stacking energy: -488.391
Base-Backbone interact. energy: -0.195
local terms energy: -506.108189
where:
bonds (distance) C4'-P energy: -99.431
bonds (distance) P-C4' energy: -96.154
flat angles C4'-P-C4' energy: -104.751
flat angles P-C4'-P energy: -75.632
tors. eta vs tors. theta energy: -130.141
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: 5, replica: 8
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1430.741662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.741662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.741662 (E_RNA)
where:
Base-Base interactions energy: -943.452
where: short stacking energy: -415.325
Base-Backbone interact. energy: -0.919
local terms energy: -486.370744
where:
bonds (distance) C4'-P energy: -99.987
bonds (distance) P-C4' energy: -108.098
flat angles C4'-P-C4' energy: -106.391
flat angles P-C4'-P energy: -67.648
tors. eta vs tors. theta energy: -104.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1421.457480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.457480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.457480 (E_RNA)
where:
Base-Base interactions energy: -965.991
where: short stacking energy: -409.178
Base-Backbone interact. energy: 0.308
local terms energy: -455.774503
where:
bonds (distance) C4'-P energy: -86.130
bonds (distance) P-C4' energy: -98.524
flat angles C4'-P-C4' energy: -103.479
flat angles P-C4'-P energy: -63.895
tors. eta vs tors. theta energy: -103.745
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: 9
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1221.305565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.305565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.305565 (E_RNA)
where:
Base-Base interactions energy: -809.244
where: short stacking energy: -368.772
Base-Backbone interact. energy: 3.177
local terms energy: -415.238662
where:
bonds (distance) C4'-P energy: -92.929
bonds (distance) P-C4' energy: -78.930
flat angles C4'-P-C4' energy: -87.979
flat angles P-C4'-P energy: -61.387
tors. eta vs tors. theta energy: -94.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1188.233441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.233441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.233441 (E_RNA)
where:
Base-Base interactions energy: -759.004
where: short stacking energy: -336.142
Base-Backbone interact. energy: 1.203
local terms energy: -430.431828
where:
bonds (distance) C4'-P energy: -97.301
bonds (distance) P-C4' energy: -105.555
flat angles C4'-P-C4' energy: -94.916
flat angles P-C4'-P energy: -60.078
tors. eta vs tors. theta energy: -72.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -869.080205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.080205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.080205 (E_RNA)
where:
Base-Base interactions energy: -523.637
where: short stacking energy: -237.435
Base-Backbone interact. energy: 0.111
local terms energy: -345.554408
where:
bonds (distance) C4'-P energy: -85.179
bonds (distance) P-C4' energy: -91.293
flat angles C4'-P-C4' energy: -77.234
flat angles P-C4'-P energy: -57.491
tors. eta vs tors. theta energy: -34.357
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: 139
Temperature: 1.350000
Total energy: -619.241549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.241549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.241549 (E_RNA)
where:
Base-Base interactions energy: -308.966
where: short stacking energy: -163.769
Base-Backbone interact. energy: 2.877
local terms energy: -313.152075
where:
bonds (distance) C4'-P energy: -102.713
bonds (distance) P-C4' energy: -84.452
flat angles C4'-P-C4' energy: -77.518
flat angles P-C4'-P energy: -48.041
tors. eta vs tors. theta energy: -0.428
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: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1831.814010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.814010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.814010 (E_RNA)
where:
Base-Base interactions energy: -1245.577
where: short stacking energy: -545.214
Base-Backbone interact. energy: -6.287
local terms energy: -579.950497
where:
bonds (distance) C4'-P energy: -101.700
bonds (distance) P-C4' energy: -115.080
flat angles C4'-P-C4' energy: -116.442
flat angles P-C4'-P energy: -87.089
tors. eta vs tors. theta energy: -159.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1796.448770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.448770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.448770 (E_RNA)
where:
Base-Base interactions energy: -1228.432
where: short stacking energy: -522.001
Base-Backbone interact. energy: -2.476
local terms energy: -565.540587
where:
bonds (distance) C4'-P energy: -100.776
bonds (distance) P-C4' energy: -104.630
flat angles C4'-P-C4' energy: -122.917
flat angles P-C4'-P energy: -82.441
tors. eta vs tors. theta energy: -154.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1624.855812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.855812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.855812 (E_RNA)
where:
Base-Base interactions energy: -1104.279
where: short stacking energy: -487.962
Base-Backbone interact. energy: 0.079
local terms energy: -520.655066
where:
bonds (distance) C4'-P energy: -97.092
bonds (distance) P-C4' energy: -94.961
flat angles C4'-P-C4' energy: -109.846
flat angles P-C4'-P energy: -82.857
tors. eta vs tors. theta energy: -135.900
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: 140
Temperature: 1.050000
Total energy: -1603.638430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.638430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.638430 (E_RNA)
where:
Base-Base interactions energy: -1091.326
where: short stacking energy: -481.940
Base-Backbone interact. energy: -1.466
local terms energy: -510.846746
where:
bonds (distance) C4'-P energy: -101.991
bonds (distance) P-C4' energy: -104.824
flat angles C4'-P-C4' energy: -110.883
flat angles P-C4'-P energy: -69.278
tors. eta vs tors. theta energy: -123.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1486.469199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.469199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.469199 (E_RNA)
where:
Base-Base interactions energy: -975.773
where: short stacking energy: -432.796
Base-Backbone interact. energy: -3.056
local terms energy: -507.640847
where:
bonds (distance) C4'-P energy: -101.501
bonds (distance) P-C4' energy: -106.635
flat angles C4'-P-C4' energy: -96.927
flat angles P-C4'-P energy: -78.949
tors. eta vs tors. theta energy: -123.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1395.949416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.949416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.949416 (E_RNA)
where:
Base-Base interactions energy: -927.623
where: short stacking energy: -425.633
Base-Backbone interact. energy: 2.143
local terms energy: -470.469867
where:
bonds (distance) C4'-P energy: -103.876
bonds (distance) P-C4' energy: -90.218
flat angles C4'-P-C4' energy: -103.643
flat angles P-C4'-P energy: -66.077
tors. eta vs tors. theta energy: -106.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1198.121430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.121430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.121430 (E_RNA)
where:
Base-Base interactions energy: -764.779
where: short stacking energy: -332.485
Base-Backbone interact. energy: -1.295
local terms energy: -432.047689
where:
bonds (distance) C4'-P energy: -102.632
bonds (distance) P-C4' energy: -94.716
flat angles C4'-P-C4' energy: -95.299
flat angles P-C4'-P energy: -71.459
tors. eta vs tors. theta energy: -67.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1151.492677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.492677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.492677 (E_RNA)
where:
Base-Base interactions energy: -760.594
where: short stacking energy: -334.336
Base-Backbone interact. energy: 2.114
local terms energy: -393.011970
where:
bonds (distance) C4'-P energy: -77.308
bonds (distance) P-C4' energy: -99.896
flat angles C4'-P-C4' energy: -86.543
flat angles P-C4'-P energy: -68.480
tors. eta vs tors. theta energy: -60.785
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: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -846.735145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.735145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.735145 (E_RNA)
where:
Base-Base interactions energy: -486.510
where: short stacking energy: -221.974
Base-Backbone interact. energy: 1.511
local terms energy: -361.736071
where:
bonds (distance) C4'-P energy: -88.948
bonds (distance) P-C4' energy: -77.037
flat angles C4'-P-C4' energy: -96.293
flat angles P-C4'-P energy: -63.375
tors. eta vs tors. theta energy: -36.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -626.404532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.404532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.404532 (E_RNA)
where:
Base-Base interactions energy: -327.248
where: short stacking energy: -185.693
Base-Backbone interact. energy: -1.191
local terms energy: -297.965282
where:
bonds (distance) C4'-P energy: -75.611
bonds (distance) P-C4' energy: -90.738
flat angles C4'-P-C4' energy: -83.146
flat angles P-C4'-P energy: -42.462
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1799.224672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.224672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.224672 (E_RNA)
where:
Base-Base interactions energy: -1256.965
where: short stacking energy: -531.236
Base-Backbone interact. energy: -2.507
local terms energy: -539.752342
where:
bonds (distance) C4'-P energy: -105.906
bonds (distance) P-C4' energy: -103.483
flat angles C4'-P-C4' energy: -114.715
flat angles P-C4'-P energy: -68.866
tors. eta vs tors. theta energy: -146.783
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: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1798.642313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.642313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.642313 (E_RNA)
where:
Base-Base interactions energy: -1221.995
where: short stacking energy: -530.378
Base-Backbone interact. energy: 1.413
local terms energy: -578.060392
where:
bonds (distance) C4'-P energy: -107.470
bonds (distance) P-C4' energy: -103.362
flat angles C4'-P-C4' energy: -124.933
flat angles P-C4'-P energy: -91.150
tors. eta vs tors. theta energy: -151.145
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: 3, replica: 7
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1613.494113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.494113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.494113 (E_RNA)
where:
Base-Base interactions energy: -1080.912
where: short stacking energy: -451.839
Base-Backbone interact. energy: 1.434
local terms energy: -534.016152
where:
bonds (distance) C4'-P energy: -109.039
bonds (distance) P-C4' energy: -105.386
flat angles C4'-P-C4' energy: -126.898
flat angles P-C4'-P energy: -78.710
tors. eta vs tors. theta energy: -113.984
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: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1611.549662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.549662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.549662 (E_RNA)
where:
Base-Base interactions energy: -1088.128
where: short stacking energy: -479.412
Base-Backbone interact. energy: -0.773
local terms energy: -522.648146
where:
bonds (distance) C4'-P energy: -102.804
bonds (distance) P-C4' energy: -98.680
flat angles C4'-P-C4' energy: -112.717
flat angles P-C4'-P energy: -77.620
tors. eta vs tors. theta energy: -130.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1491.040008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.040008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.040008 (E_RNA)
where:
Base-Base interactions energy: -1017.075
where: short stacking energy: -431.642
Base-Backbone interact. energy: -0.175
local terms energy: -473.789402
where:
bonds (distance) C4'-P energy: -99.680
bonds (distance) P-C4' energy: -100.679
flat angles C4'-P-C4' energy: -93.822
flat angles P-C4'-P energy: -64.614
tors. eta vs tors. theta energy: -114.995
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: 8
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1410.888846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.888846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.888846 (E_RNA)
where:
Base-Base interactions energy: -944.649
where: short stacking energy: -426.552
Base-Backbone interact. energy: -1.650
local terms energy: -464.590001
where:
bonds (distance) C4'-P energy: -104.638
bonds (distance) P-C4' energy: -85.284
flat angles C4'-P-C4' energy: -106.681
flat angles P-C4'-P energy: -59.174
tors. eta vs tors. theta energy: -108.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1221.047305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.047305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.047305 (E_RNA)
where:
Base-Base interactions energy: -768.279
where: short stacking energy: -343.623
Base-Backbone interact. energy: -1.466
local terms energy: -451.302285
where:
bonds (distance) C4'-P energy: -105.059
bonds (distance) P-C4' energy: -100.504
flat angles C4'-P-C4' energy: -93.463
flat angles P-C4'-P energy: -70.716
tors. eta vs tors. theta energy: -81.561
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: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1190.943299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.943299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.943299 (E_RNA)
where:
Base-Base interactions energy: -766.365
where: short stacking energy: -341.088
Base-Backbone interact. energy: -0.565
local terms energy: -424.013626
where:
bonds (distance) C4'-P energy: -80.954
bonds (distance) P-C4' energy: -93.369
flat angles C4'-P-C4' energy: -109.199
flat angles P-C4'-P energy: -69.312
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: 9, replica: 3
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -903.400272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.400272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.400272 (E_RNA)
where:
Base-Base interactions energy: -542.547
where: short stacking energy: -274.679
Base-Backbone interact. energy: 0.562
local terms energy: -361.416196
where:
bonds (distance) C4'-P energy: -87.117
bonds (distance) P-C4' energy: -81.823
flat angles C4'-P-C4' energy: -70.884
flat angles P-C4'-P energy: -63.623
tors. eta vs tors. theta energy: -57.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -635.616685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.616685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.616685 (E_RNA)
where:
Base-Base interactions energy: -336.886
where: short stacking energy: -191.941
Base-Backbone interact. energy: 2.670
local terms energy: -301.400469
where:
bonds (distance) C4'-P energy: -81.112
bonds (distance) P-C4' energy: -90.184
flat angles C4'-P-C4' energy: -76.736
flat angles P-C4'-P energy: -47.418
tors. eta vs tors. theta energy: -5.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1837.741288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.741288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.741288 (E_RNA)
where:
Base-Base interactions energy: -1236.810
where: short stacking energy: -525.781
Base-Backbone interact. energy: -2.308
local terms energy: -598.623703
where:
bonds (distance) C4'-P energy: -102.648
bonds (distance) P-C4' energy: -119.921
flat angles C4'-P-C4' energy: -132.957
flat angles P-C4'-P energy: -91.954
tors. eta vs tors. theta energy: -151.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1806.514152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.514152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.514152 (E_RNA)
where:
Base-Base interactions energy: -1261.799
where: short stacking energy: -537.383
Base-Backbone interact. energy: -3.242
local terms energy: -541.472699
where:
bonds (distance) C4'-P energy: -90.012
bonds (distance) P-C4' energy: -112.540
flat angles C4'-P-C4' energy: -111.209
flat angles P-C4'-P energy: -69.868
tors. eta vs tors. theta energy: -157.844
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: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1686.300668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.300668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.300668 (E_RNA)
where:
Base-Base interactions energy: -1127.958
where: short stacking energy: -504.233
Base-Backbone interact. energy: 1.507
local terms energy: -559.849060
where:
bonds (distance) C4'-P energy: -97.057
bonds (distance) P-C4' energy: -117.969
flat angles C4'-P-C4' energy: -120.495
flat angles P-C4'-P energy: -80.153
tors. eta vs tors. theta energy: -144.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1540.003326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.003326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.003326 (E_RNA)
where:
Base-Base interactions energy: -1027.698
where: short stacking energy: -433.368
Base-Backbone interact. energy: -1.232
local terms energy: -511.072671
where:
bonds (distance) C4'-P energy: -80.292
bonds (distance) P-C4' energy: -109.716
flat angles C4'-P-C4' energy: -115.634
flat angles P-C4'-P energy: -79.610
tors. eta vs tors. theta energy: -125.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1488.009015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.009015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.009015 (E_RNA)
where:
Base-Base interactions energy: -981.728
where: short stacking energy: -434.599
Base-Backbone interact. energy: -1.411
local terms energy: -504.870524
where:
bonds (distance) C4'-P energy: -105.548
bonds (distance) P-C4' energy: -104.184
flat angles C4'-P-C4' energy: -111.131
flat angles P-C4'-P energy: -69.525
tors. eta vs tors. theta energy: -114.483
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: 6, replica: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1364.327102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.327102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.327102 (E_RNA)
where:
Base-Base interactions energy: -906.318
where: short stacking energy: -394.481
Base-Backbone interact. energy: -0.026
local terms energy: -457.982403
where:
bonds (distance) C4'-P energy: -95.316
bonds (distance) P-C4' energy: -107.561
flat angles C4'-P-C4' energy: -91.153
flat angles P-C4'-P energy: -64.527
tors. eta vs tors. theta energy: -99.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1260.444527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.444527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.444527 (E_RNA)
where:
Base-Base interactions energy: -824.887
where: short stacking energy: -364.433
Base-Backbone interact. energy: 1.082
local terms energy: -436.639129
where:
bonds (distance) C4'-P energy: -96.280
bonds (distance) P-C4' energy: -91.468
flat angles C4'-P-C4' energy: -104.839
flat angles P-C4'-P energy: -66.310
tors. eta vs tors. theta energy: -77.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1213.107467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.107467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.107467 (E_RNA)
where:
Base-Base interactions energy: -775.915
where: short stacking energy: -335.819
Base-Backbone interact. energy: -0.216
local terms energy: -436.976051
where:
bonds (distance) C4'-P energy: -89.194
bonds (distance) P-C4' energy: -110.924
flat angles C4'-P-C4' energy: -102.553
flat angles P-C4'-P energy: -66.831
tors. eta vs tors. theta energy: -67.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -838.157387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.157387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.157387 (E_RNA)
where:
Base-Base interactions energy: -501.906
where: short stacking energy: -235.962
Base-Backbone interact. energy: 1.543
local terms energy: -337.794638
where:
bonds (distance) C4'-P energy: -70.912
bonds (distance) P-C4' energy: -94.586
flat angles C4'-P-C4' energy: -87.601
flat angles P-C4'-P energy: -50.929
tors. eta vs tors. theta energy: -33.767
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: 142
Temperature: 1.350000
Total energy: -617.872700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.872700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.872700 (E_RNA)
where:
Base-Base interactions energy: -302.039
where: short stacking energy: -177.366
Base-Backbone interact. energy: 0.675
local terms energy: -316.509108
where:
bonds (distance) C4'-P energy: -86.410
bonds (distance) P-C4' energy: -94.444
flat angles C4'-P-C4' energy: -81.691
flat angles P-C4'-P energy: -44.436
tors. eta vs tors. theta energy: -9.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1822.402498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.402498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.402498 (E_RNA)
where:
Base-Base interactions energy: -1243.717
where: short stacking energy: -530.926
Base-Backbone interact. energy: -2.705
local terms energy: -575.980737
where:
bonds (distance) C4'-P energy: -115.885
bonds (distance) P-C4' energy: -105.224
flat angles C4'-P-C4' energy: -130.431
flat angles P-C4'-P energy: -74.629
tors. eta vs tors. theta energy: -149.812
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: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1725.044933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.044933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.044933 (E_RNA)
where:
Base-Base interactions energy: -1193.112
where: short stacking energy: -468.061
Base-Backbone interact. energy: -6.295
local terms energy: -525.637867
where:
bonds (distance) C4'-P energy: -99.061
bonds (distance) P-C4' energy: -106.734
flat angles C4'-P-C4' energy: -118.029
flat angles P-C4'-P energy: -70.438
tors. eta vs tors. theta energy: -131.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1633.125354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.125354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.125354 (E_RNA)
where:
Base-Base interactions energy: -1119.299
where: short stacking energy: -498.705
Base-Backbone interact. energy: 5.942
local terms energy: -519.768286
where:
bonds (distance) C4'-P energy: -85.256
bonds (distance) P-C4' energy: -93.978
flat angles C4'-P-C4' energy: -126.013
flat angles P-C4'-P energy: -77.178
tors. eta vs tors. theta energy: -137.344
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: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1565.694420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.694420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.694420 (E_RNA)
where:
Base-Base interactions energy: -1050.699
where: short stacking energy: -461.404
Base-Backbone interact. energy: 1.419
local terms energy: -516.414453
where:
bonds (distance) C4'-P energy: -92.234
bonds (distance) P-C4' energy: -106.874
flat angles C4'-P-C4' energy: -118.711
flat angles P-C4'-P energy: -66.686
tors. eta vs tors. theta energy: -131.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1498.215542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.215542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.215542 (E_RNA)
where:
Base-Base interactions energy: -1016.743
where: short stacking energy: -433.239
Base-Backbone interact. energy: -2.391
local terms energy: -479.081180
where:
bonds (distance) C4'-P energy: -96.603
bonds (distance) P-C4' energy: -84.978
flat angles C4'-P-C4' energy: -111.693
flat angles P-C4'-P energy: -65.224
tors. eta vs tors. theta energy: -120.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1331.350916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.350916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.350916 (E_RNA)
where:
Base-Base interactions energy: -899.734
where: short stacking energy: -386.433
Base-Backbone interact. energy: -1.831
local terms energy: -429.785421
where:
bonds (distance) C4'-P energy: -87.952
bonds (distance) P-C4' energy: -99.413
flat angles C4'-P-C4' energy: -93.863
flat angles P-C4'-P energy: -54.419
tors. eta vs tors. theta energy: -94.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1219.842064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.842064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.842064 (E_RNA)
where:
Base-Base interactions energy: -795.838
where: short stacking energy: -369.198
Base-Backbone interact. energy: -0.804
local terms energy: -423.199902
where:
bonds (distance) C4'-P energy: -83.818
bonds (distance) P-C4' energy: -77.895
flat angles C4'-P-C4' energy: -100.397
flat angles P-C4'-P energy: -74.490
tors. eta vs tors. theta energy: -86.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1181.246613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.246613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.246613 (E_RNA)
where:
Base-Base interactions energy: -768.617
where: short stacking energy: -322.843
Base-Backbone interact. energy: -0.566
local terms energy: -412.063045
where:
bonds (distance) C4'-P energy: -99.606
bonds (distance) P-C4' energy: -77.566
flat angles C4'-P-C4' energy: -103.789
flat angles P-C4'-P energy: -66.975
tors. eta vs tors. theta energy: -64.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -816.569304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.569304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.569304 (E_RNA)
where:
Base-Base interactions energy: -495.916
where: short stacking energy: -245.958
Base-Backbone interact. energy: 3.692
local terms energy: -324.345218
where:
bonds (distance) C4'-P energy: -98.479
bonds (distance) P-C4' energy: -83.445
flat angles C4'-P-C4' energy: -55.314
flat angles P-C4'-P energy: -49.695
tors. eta vs tors. theta energy: -37.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -645.441412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.441412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.441412 (E_RNA)
where:
Base-Base interactions energy: -367.081
where: short stacking energy: -177.822
Base-Backbone interact. energy: 6.113
local terms energy: -284.473072
where:
bonds (distance) C4'-P energy: -78.267
bonds (distance) P-C4' energy: -77.985
flat angles C4'-P-C4' energy: -98.266
flat angles P-C4'-P energy: -43.573
tors. eta vs tors. theta energy: 13.618
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: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1829.141922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.141922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.141922 (E_RNA)
where:
Base-Base interactions energy: -1244.302
where: short stacking energy: -537.097
Base-Backbone interact. energy: -2.096
local terms energy: -582.743486
where:
bonds (distance) C4'-P energy: -109.714
bonds (distance) P-C4' energy: -119.727
flat angles C4'-P-C4' energy: -121.956
flat angles P-C4'-P energy: -75.805
tors. eta vs tors. theta energy: -155.541
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: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1769.699992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.699992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.699992 (E_RNA)
where:
Base-Base interactions energy: -1221.956
where: short stacking energy: -514.353
Base-Backbone interact. energy: -3.032
local terms energy: -544.711648
where:
bonds (distance) C4'-P energy: -101.276
bonds (distance) P-C4' energy: -96.386
flat angles C4'-P-C4' energy: -117.613
flat angles P-C4'-P energy: -78.299
tors. eta vs tors. theta energy: -151.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1655.798711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.798711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.798711 (E_RNA)
where:
Base-Base interactions energy: -1115.793
where: short stacking energy: -499.506
Base-Backbone interact. energy: -0.827
local terms energy: -539.178876
where:
bonds (distance) C4'-P energy: -100.704
bonds (distance) P-C4' energy: -112.205
flat angles C4'-P-C4' energy: -118.404
flat angles P-C4'-P energy: -70.259
tors. eta vs tors. theta energy: -137.607
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: 4, replica: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1579.988338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.988338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.988338 (E_RNA)
where:
Base-Base interactions energy: -1067.402
where: short stacking energy: -460.727
Base-Backbone interact. energy: -1.956
local terms energy: -510.630587
where:
bonds (distance) C4'-P energy: -113.130
bonds (distance) P-C4' energy: -103.062
flat angles C4'-P-C4' energy: -98.433
flat angles P-C4'-P energy: -59.873
tors. eta vs tors. theta energy: -136.132
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: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1472.955818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.955818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.955818 (E_RNA)
where:
Base-Base interactions energy: -990.826
where: short stacking energy: -421.997
Base-Backbone interact. energy: 4.074
local terms energy: -486.204261
where:
bonds (distance) C4'-P energy: -98.678
bonds (distance) P-C4' energy: -109.413
flat angles C4'-P-C4' energy: -98.670
flat angles P-C4'-P energy: -68.835
tors. eta vs tors. theta energy: -110.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1392.530539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.530539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.530539 (E_RNA)
where:
Base-Base interactions energy: -932.700
where: short stacking energy: -412.164
Base-Backbone interact. energy: -1.984
local terms energy: -457.846572
where:
bonds (distance) C4'-P energy: -94.676
bonds (distance) P-C4' energy: -96.659
flat angles C4'-P-C4' energy: -103.327
flat angles P-C4'-P energy: -55.088
tors. eta vs tors. theta energy: -108.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1234.347834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.347834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.347834 (E_RNA)
where:
Base-Base interactions energy: -809.879
where: short stacking energy: -370.133
Base-Backbone interact. energy: -1.077
local terms energy: -423.391854
where:
bonds (distance) C4'-P energy: -79.239
bonds (distance) P-C4' energy: -81.763
flat angles C4'-P-C4' energy: -109.296
flat angles P-C4'-P energy: -67.114
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: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1119.408646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.408646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.408646 (E_RNA)
where:
Base-Base interactions energy: -738.333
where: short stacking energy: -297.592
Base-Backbone interact. energy: -1.743
local terms energy: -379.333016
where:
bonds (distance) C4'-P energy: -102.656
bonds (distance) P-C4' energy: -88.484
flat angles C4'-P-C4' energy: -78.191
flat angles P-C4'-P energy: -60.280
tors. eta vs tors. theta energy: -49.723
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: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -850.747249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.747249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.747249 (E_RNA)
where:
Base-Base interactions energy: -498.582
where: short stacking energy: -235.004
Base-Backbone interact. energy: -1.272
local terms energy: -350.893808
where:
bonds (distance) C4'-P energy: -96.936
bonds (distance) P-C4' energy: -88.731
flat angles C4'-P-C4' energy: -77.126
flat angles P-C4'-P energy: -64.315
tors. eta vs tors. theta energy: -23.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -607.043763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.043763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.043763 (E_RNA)
where:
Base-Base interactions energy: -320.451
where: short stacking energy: -180.916
Base-Backbone interact. energy: 1.688
local terms energy: -288.280698
where:
bonds (distance) C4'-P energy: -92.081
bonds (distance) P-C4' energy: -77.837
flat angles C4'-P-C4' energy: -67.613
flat angles P-C4'-P energy: -38.194
tors. eta vs tors. theta energy: -12.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1846.849313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.849313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.849313 (E_RNA)
where:
Base-Base interactions energy: -1257.533
where: short stacking energy: -551.148
Base-Backbone interact. energy: -4.922
local terms energy: -584.394605
where:
bonds (distance) C4'-P energy: -113.813
bonds (distance) P-C4' energy: -112.244
flat angles C4'-P-C4' energy: -120.583
flat angles P-C4'-P energy: -79.469
tors. eta vs tors. theta energy: -158.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1774.873192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.873192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.873192 (E_RNA)
where:
Base-Base interactions energy: -1217.091
where: short stacking energy: -520.950
Base-Backbone interact. energy: -7.295
local terms energy: -550.487111
where:
bonds (distance) C4'-P energy: -106.253
bonds (distance) P-C4' energy: -109.435
flat angles C4'-P-C4' energy: -125.246
flat angles P-C4'-P energy: -69.820
tors. eta vs tors. theta energy: -139.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1631.692860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.692860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.692860 (E_RNA)
where:
Base-Base interactions energy: -1085.060
where: short stacking energy: -477.131
Base-Backbone interact. energy: -2.922
local terms energy: -543.710809
where:
bonds (distance) C4'-P energy: -103.589
bonds (distance) P-C4' energy: -112.346
flat angles C4'-P-C4' energy: -116.274
flat angles P-C4'-P energy: -84.277
tors. eta vs tors. theta energy: -127.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1555.490750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.490750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.490750 (E_RNA)
where:
Base-Base interactions energy: -1053.035
where: short stacking energy: -453.954
Base-Backbone interact. energy: -1.249
local terms energy: -501.207010
where:
bonds (distance) C4'-P energy: -94.337
bonds (distance) P-C4' energy: -88.680
flat angles C4'-P-C4' energy: -114.308
flat angles P-C4'-P energy: -72.090
tors. eta vs tors. theta energy: -131.793
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: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1502.201621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.201621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.201621 (E_RNA)
where:
Base-Base interactions energy: -1007.898
where: short stacking energy: -445.153
Base-Backbone interact. energy: 0.368
local terms energy: -494.671957
where:
bonds (distance) C4'-P energy: -92.511
bonds (distance) P-C4' energy: -108.003
flat angles C4'-P-C4' energy: -104.796
flat angles P-C4'-P energy: -72.058
tors. eta vs tors. theta energy: -117.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1376.219964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.219964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.219964 (E_RNA)
where:
Base-Base interactions energy: -942.241
where: short stacking energy: -428.567
Base-Backbone interact. energy: -2.865
local terms energy: -431.113987
where:
bonds (distance) C4'-P energy: -79.567
bonds (distance) P-C4' energy: -72.771
flat angles C4'-P-C4' energy: -115.740
flat angles P-C4'-P energy: -56.204
tors. eta vs tors. theta energy: -106.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1236.601581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.601581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.601581 (E_RNA)
where:
Base-Base interactions energy: -814.139
where: short stacking energy: -348.113
Base-Backbone interact. energy: -0.403
local terms energy: -422.059058
where:
bonds (distance) C4'-P energy: -83.265
bonds (distance) P-C4' energy: -88.519
flat angles C4'-P-C4' energy: -103.982
flat angles P-C4'-P energy: -67.759
tors. eta vs tors. theta energy: -78.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1078.365679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.365679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.365679 (E_RNA)
where:
Base-Base interactions energy: -682.851
where: short stacking energy: -296.274
Base-Backbone interact. energy: -0.182
local terms energy: -395.332272
where:
bonds (distance) C4'-P energy: -96.979
bonds (distance) P-C4' energy: -93.819
flat angles C4'-P-C4' energy: -92.194
flat angles P-C4'-P energy: -47.013
tors. eta vs tors. theta energy: -65.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -911.780619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.780619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.780619 (E_RNA)
where:
Base-Base interactions energy: -572.955
where: short stacking energy: -275.235
Base-Backbone interact. energy: 2.891
local terms energy: -341.717129
where:
bonds (distance) C4'-P energy: -75.726
bonds (distance) P-C4' energy: -96.135
flat angles C4'-P-C4' energy: -72.957
flat angles P-C4'-P energy: -42.740
tors. eta vs tors. theta energy: -54.160
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: 145
Temperature: 1.350000
Total energy: -590.575919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.575919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.575919 (E_RNA)
where:
Base-Base interactions energy: -310.369
where: short stacking energy: -153.521
Base-Backbone interact. energy: 2.267
local terms energy: -282.474598
where:
bonds (distance) C4'-P energy: -90.820
bonds (distance) P-C4' energy: -95.878
flat angles C4'-P-C4' energy: -56.465
flat angles P-C4'-P energy: -45.849
tors. eta vs tors. theta energy: 6.538
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: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1827.432600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.432600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.432600 (E_RNA)
where:
Base-Base interactions energy: -1258.159
where: short stacking energy: -545.147
Base-Backbone interact. energy: -1.937
local terms energy: -567.336080
where:
bonds (distance) C4'-P energy: -99.753
bonds (distance) P-C4' energy: -111.071
flat angles C4'-P-C4' energy: -127.354
flat angles P-C4'-P energy: -70.229
tors. eta vs tors. theta energy: -158.929
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: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1808.308430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.308430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.308430 (E_RNA)
where:
Base-Base interactions energy: -1236.328
where: short stacking energy: -538.533
Base-Backbone interact. energy: -4.118
local terms energy: -567.863109
where:
bonds (distance) C4'-P energy: -112.001
bonds (distance) P-C4' energy: -106.947
flat angles C4'-P-C4' energy: -127.615
flat angles P-C4'-P energy: -74.498
tors. eta vs tors. theta energy: -146.802
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: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1655.953047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.953047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.953047 (E_RNA)
where:
Base-Base interactions energy: -1112.712
where: short stacking energy: -488.919
Base-Backbone interact. energy: -2.507
local terms energy: -540.734431
where:
bonds (distance) C4'-P energy: -113.698
bonds (distance) P-C4' energy: -96.983
flat angles C4'-P-C4' energy: -116.604
flat angles P-C4'-P energy: -76.778
tors. eta vs tors. theta energy: -136.672
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: 7
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1538.631575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.631575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.631575 (E_RNA)
where:
Base-Base interactions energy: -1048.316
where: short stacking energy: -463.944
Base-Backbone interact. energy: 0.494
local terms energy: -490.808764
where:
bonds (distance) C4'-P energy: -79.402
bonds (distance) P-C4' energy: -99.279
flat angles C4'-P-C4' energy: -98.554
flat angles P-C4'-P energy: -82.909
tors. eta vs tors. theta energy: -130.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1522.706644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.706644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.706644 (E_RNA)
where:
Base-Base interactions energy: -1013.210
where: short stacking energy: -447.968
Base-Backbone interact. energy: -2.172
local terms energy: -507.324639
where:
bonds (distance) C4'-P energy: -109.180
bonds (distance) P-C4' energy: -102.332
flat angles C4'-P-C4' energy: -114.960
flat angles P-C4'-P energy: -62.010
tors. eta vs tors. theta energy: -118.843
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: 6, replica: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1387.889960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.889960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.889960 (E_RNA)
where:
Base-Base interactions energy: -938.489
where: short stacking energy: -416.564
Base-Backbone interact. energy: 1.903
local terms energy: -451.303655
where:
bonds (distance) C4'-P energy: -89.089
bonds (distance) P-C4' energy: -91.191
flat angles C4'-P-C4' energy: -102.324
flat angles P-C4'-P energy: -59.951
tors. eta vs tors. theta energy: -108.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1228.487946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.487946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.487946 (E_RNA)
where:
Base-Base interactions energy: -766.883
where: short stacking energy: -342.903
Base-Backbone interact. energy: -2.089
local terms energy: -459.516261
where:
bonds (distance) C4'-P energy: -88.670
bonds (distance) P-C4' energy: -107.757
flat angles C4'-P-C4' energy: -106.795
flat angles P-C4'-P energy: -67.945
tors. eta vs tors. theta energy: -88.350
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: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1058.537438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.537438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.537438 (E_RNA)
where:
Base-Base interactions energy: -666.399
where: short stacking energy: -291.005
Base-Backbone interact. energy: -1.331
local terms energy: -390.807757
where:
bonds (distance) C4'-P energy: -93.114
bonds (distance) P-C4' energy: -100.157
flat angles C4'-P-C4' energy: -88.415
flat angles P-C4'-P energy: -37.134
tors. eta vs tors. theta energy: -71.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -862.006072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.006072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.006072 (E_RNA)
where:
Base-Base interactions energy: -499.555
where: short stacking energy: -240.629
Base-Backbone interact. energy: 2.556
local terms energy: -365.007085
where:
bonds (distance) C4'-P energy: -87.253
bonds (distance) P-C4' energy: -106.622
flat angles C4'-P-C4' energy: -75.765
flat angles P-C4'-P energy: -64.693
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: 146
Temperature: 1.350000
Total energy: -615.119034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.119034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.119034 (E_RNA)
where:
Base-Base interactions energy: -293.528
where: short stacking energy: -176.023
Base-Backbone interact. energy: 5.311
local terms energy: -326.901988
where:
bonds (distance) C4'-P energy: -83.468
bonds (distance) P-C4' energy: -95.892
flat angles C4'-P-C4' energy: -88.719
flat angles P-C4'-P energy: -58.508
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: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1863.157074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.157074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.157074 (E_RNA)
where:
Base-Base interactions energy: -1263.448
where: short stacking energy: -549.254
Base-Backbone interact. energy: -2.412
local terms energy: -597.296402
where:
bonds (distance) C4'-P energy: -121.695
bonds (distance) P-C4' energy: -116.759
flat angles C4'-P-C4' energy: -118.632
flat angles P-C4'-P energy: -80.296
tors. eta vs tors. theta energy: -159.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1783.167397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.167397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.167397 (E_RNA)
where:
Base-Base interactions energy: -1225.444
where: short stacking energy: -541.363
Base-Backbone interact. energy: -3.642
local terms energy: -554.081767
where:
bonds (distance) C4'-P energy: -111.703
bonds (distance) P-C4' energy: -103.938
flat angles C4'-P-C4' energy: -109.921
flat angles P-C4'-P energy: -83.249
tors. eta vs tors. theta energy: -145.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1642.546661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.546661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.546661 (E_RNA)
where:
Base-Base interactions energy: -1135.617
where: short stacking energy: -478.452
Base-Backbone interact. energy: 2.790
local terms energy: -509.719793
where:
bonds (distance) C4'-P energy: -92.753
bonds (distance) P-C4' energy: -100.888
flat angles C4'-P-C4' energy: -118.954
flat angles P-C4'-P energy: -74.034
tors. eta vs tors. theta energy: -123.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1520.535407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.535407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.535407 (E_RNA)
where:
Base-Base interactions energy: -1014.031
where: short stacking energy: -461.649
Base-Backbone interact. energy: 1.326
local terms energy: -507.830693
where:
bonds (distance) C4'-P energy: -98.394
bonds (distance) P-C4' energy: -105.186
flat angles C4'-P-C4' energy: -108.588
flat angles P-C4'-P energy: -76.129
tors. eta vs tors. theta energy: -119.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1548.530605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.530605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.530605 (E_RNA)
where:
Base-Base interactions energy: -1048.447
where: short stacking energy: -430.206
Base-Backbone interact. energy: -0.867
local terms energy: -499.216031
where:
bonds (distance) C4'-P energy: -109.374
bonds (distance) P-C4' energy: -97.022
flat angles C4'-P-C4' energy: -98.726
flat angles P-C4'-P energy: -74.229
tors. eta vs tors. theta energy: -119.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1337.647190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.647190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.647190 (E_RNA)
where:
Base-Base interactions energy: -898.608
where: short stacking energy: -388.386
Base-Backbone interact. energy: -2.409
local terms energy: -436.630350
where:
bonds (distance) C4'-P energy: -89.202
bonds (distance) P-C4' energy: -91.347
flat angles C4'-P-C4' energy: -106.191
flat angles P-C4'-P energy: -55.208
tors. eta vs tors. theta energy: -94.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1205.944346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.944346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.944346 (E_RNA)
where:
Base-Base interactions energy: -763.361
where: short stacking energy: -351.038
Base-Backbone interact. energy: -1.130
local terms energy: -441.453199
where:
bonds (distance) C4'-P energy: -84.849
bonds (distance) P-C4' energy: -116.514
flat angles C4'-P-C4' energy: -96.957
flat angles P-C4'-P energy: -70.822
tors. eta vs tors. theta energy: -72.312
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: 147
Temperature: 1.250000
Total energy: -1121.310722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.310722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.310722 (E_RNA)
where:
Base-Base interactions energy: -745.922
where: short stacking energy: -277.715
Base-Backbone interact. energy: -1.389
local terms energy: -373.999981
where:
bonds (distance) C4'-P energy: -94.153
bonds (distance) P-C4' energy: -100.258
flat angles C4'-P-C4' energy: -74.364
flat angles P-C4'-P energy: -49.334
tors. eta vs tors. theta energy: -55.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -888.275258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.275258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.275258 (E_RNA)
where:
Base-Base interactions energy: -559.554
where: short stacking energy: -242.185
Base-Backbone interact. energy: -0.135
local terms energy: -328.586356
where:
bonds (distance) C4'-P energy: -79.744
bonds (distance) P-C4' energy: -89.649
flat angles C4'-P-C4' energy: -72.879
flat angles P-C4'-P energy: -49.487
tors. eta vs tors. theta energy: -36.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -598.609739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.609739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.609739 (E_RNA)
where:
Base-Base interactions energy: -305.980
where: short stacking energy: -164.862
Base-Backbone interact. energy: 2.726
local terms energy: -295.355887
where:
bonds (distance) C4'-P energy: -89.111
bonds (distance) P-C4' energy: -95.680
flat angles C4'-P-C4' energy: -68.903
flat angles P-C4'-P energy: -46.586
tors. eta vs tors. theta energy: 4.923
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: 4
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1791.858113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.858113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.858113 (E_RNA)
where:
Base-Base interactions energy: -1234.226
where: short stacking energy: -533.539
Base-Backbone interact. energy: -1.466
local terms energy: -556.166469
where:
bonds (distance) C4'-P energy: -112.621
bonds (distance) P-C4' energy: -107.392
flat angles C4'-P-C4' energy: -111.277
flat angles P-C4'-P energy: -71.530
tors. eta vs tors. theta energy: -153.346
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: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1781.292581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.292581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.292581 (E_RNA)
where:
Base-Base interactions energy: -1209.843
where: short stacking energy: -526.550
Base-Backbone interact. energy: 1.871
local terms energy: -573.320604
where:
bonds (distance) C4'-P energy: -100.541
bonds (distance) P-C4' energy: -114.873
flat angles C4'-P-C4' energy: -119.312
flat angles P-C4'-P energy: -85.727
tors. eta vs tors. theta energy: -152.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1670.976311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.976311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.976311 (E_RNA)
where:
Base-Base interactions energy: -1109.206
where: short stacking energy: -499.355
Base-Backbone interact. energy: -2.131
local terms energy: -559.640065
where:
bonds (distance) C4'-P energy: -98.838
bonds (distance) P-C4' energy: -109.321
flat angles C4'-P-C4' energy: -115.534
flat angles P-C4'-P energy: -86.202
tors. eta vs tors. theta energy: -149.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1528.588425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.588425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.588425 (E_RNA)
where:
Base-Base interactions energy: -1021.149
where: short stacking energy: -440.554
Base-Backbone interact. energy: 0.234
local terms energy: -507.673100
where:
bonds (distance) C4'-P energy: -93.330
bonds (distance) P-C4' energy: -113.188
flat angles C4'-P-C4' energy: -112.030
flat angles P-C4'-P energy: -75.684
tors. eta vs tors. theta energy: -113.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1373.420482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.420482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.420482 (E_RNA)
where:
Base-Base interactions energy: -901.628
where: short stacking energy: -397.023
Base-Backbone interact. energy: 0.640
local terms energy: -472.432284
where:
bonds (distance) C4'-P energy: -84.803
bonds (distance) P-C4' energy: -118.758
flat angles C4'-P-C4' energy: -117.708
flat angles P-C4'-P energy: -61.155
tors. eta vs tors. theta energy: -90.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1418.109783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.109783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.109783 (E_RNA)
where:
Base-Base interactions energy: -949.399
where: short stacking energy: -415.987
Base-Backbone interact. energy: 0.761
local terms energy: -469.472019
where:
bonds (distance) C4'-P energy: -95.118
bonds (distance) P-C4' energy: -99.892
flat angles C4'-P-C4' energy: -107.412
flat angles P-C4'-P energy: -61.283
tors. eta vs tors. theta energy: -105.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1210.218636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.218636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.218636 (E_RNA)
where:
Base-Base interactions energy: -825.550
where: short stacking energy: -357.546
Base-Backbone interact. energy: -1.942
local terms energy: -382.727377
where:
bonds (distance) C4'-P energy: -76.788
bonds (distance) P-C4' energy: -80.896
flat angles C4'-P-C4' energy: -86.770
flat angles P-C4'-P energy: -62.659
tors. eta vs tors. theta energy: -75.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1074.908779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.908779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.908779 (E_RNA)
where:
Base-Base interactions energy: -681.623
where: short stacking energy: -306.959
Base-Backbone interact. energy: -1.000
local terms energy: -392.285474
where:
bonds (distance) C4'-P energy: -76.862
bonds (distance) P-C4' energy: -103.320
flat angles C4'-P-C4' energy: -104.621
flat angles P-C4'-P energy: -40.123
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: 9, replica: 3
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -899.615042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.615042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.615042 (E_RNA)
where:
Base-Base interactions energy: -553.947
where: short stacking energy: -265.861
Base-Backbone interact. energy: 1.991
local terms energy: -347.659914
where:
bonds (distance) C4'-P energy: -91.268
bonds (distance) P-C4' energy: -86.536
flat angles C4'-P-C4' energy: -80.173
flat angles P-C4'-P energy: -48.833
tors. eta vs tors. theta energy: -40.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -619.880617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.880617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.880617 (E_RNA)
where:
Base-Base interactions energy: -302.715
where: short stacking energy: -175.489
Base-Backbone interact. energy: 0.088
local terms energy: -317.253226
where:
bonds (distance) C4'-P energy: -88.590
bonds (distance) P-C4' energy: -105.234
flat angles C4'-P-C4' energy: -78.591
flat angles P-C4'-P energy: -30.879
tors. eta vs tors. theta energy: -13.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1800.049072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.049072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.049072 (E_RNA)
where:
Base-Base interactions energy: -1234.370
where: short stacking energy: -534.420
Base-Backbone interact. energy: -4.639
local terms energy: -561.040867
where:
bonds (distance) C4'-P energy: -104.601
bonds (distance) P-C4' energy: -113.683
flat angles C4'-P-C4' energy: -113.476
flat angles P-C4'-P energy: -78.262
tors. eta vs tors. theta energy: -151.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1778.886753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.886753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.886753 (E_RNA)
where:
Base-Base interactions energy: -1227.936
where: short stacking energy: -530.680
Base-Backbone interact. energy: -8.003
local terms energy: -542.947518
where:
bonds (distance) C4'-P energy: -105.066
bonds (distance) P-C4' energy: -96.169
flat angles C4'-P-C4' energy: -118.793
flat angles P-C4'-P energy: -66.594
tors. eta vs tors. theta energy: -156.326
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: 149
Temperature: 1.000000
Total energy: -1657.694220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.694220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.694220 (E_RNA)
where:
Base-Base interactions energy: -1132.752
where: short stacking energy: -499.306
Base-Backbone interact. energy: -1.210
local terms energy: -523.733135
where:
bonds (distance) C4'-P energy: -91.431
bonds (distance) P-C4' energy: -104.297
flat angles C4'-P-C4' energy: -115.678
flat angles P-C4'-P energy: -78.088
tors. eta vs tors. theta energy: -134.240
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: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1552.143137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.143137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.143137 (E_RNA)
where:
Base-Base interactions energy: -1050.401
where: short stacking energy: -465.295
Base-Backbone interact. energy: -0.152
local terms energy: -501.590220
where:
bonds (distance) C4'-P energy: -96.103
bonds (distance) P-C4' energy: -97.725
flat angles C4'-P-C4' energy: -107.921
flat angles P-C4'-P energy: -81.037
tors. eta vs tors. theta energy: -118.805
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: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1431.189334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.189334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.189334 (E_RNA)
where:
Base-Base interactions energy: -946.869
where: short stacking energy: -397.500
Base-Backbone interact. energy: -2.374
local terms energy: -481.946746
where:
bonds (distance) C4'-P energy: -113.604
bonds (distance) P-C4' energy: -105.767
flat angles C4'-P-C4' energy: -103.324
flat angles P-C4'-P energy: -66.107
tors. eta vs tors. theta energy: -93.145
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: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1415.648014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.648014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.648014 (E_RNA)
where:
Base-Base interactions energy: -980.093
where: short stacking energy: -423.521
Base-Backbone interact. energy: 0.318
local terms energy: -435.872957
where:
bonds (distance) C4'-P energy: -93.802
bonds (distance) P-C4' energy: -86.973
flat angles C4'-P-C4' energy: -79.060
flat angles P-C4'-P energy: -70.867
tors. eta vs tors. theta energy: -105.172
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: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1278.197379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.197379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.197379 (E_RNA)
where:
Base-Base interactions energy: -860.823
where: short stacking energy: -383.828
Base-Backbone interact. energy: -1.188
local terms energy: -416.186791
where:
bonds (distance) C4'-P energy: -97.981
bonds (distance) P-C4' energy: -88.409
flat angles C4'-P-C4' energy: -88.266
flat angles P-C4'-P energy: -56.810
tors. eta vs tors. theta energy: -84.721
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: 149
Temperature: 1.250000
Total energy: -1118.585886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.585886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.585886 (E_RNA)
where:
Base-Base interactions energy: -720.796
where: short stacking energy: -328.677
Base-Backbone interact. energy: -2.386
local terms energy: -395.403754
where:
bonds (distance) C4'-P energy: -86.495
bonds (distance) P-C4' energy: -91.119
flat angles C4'-P-C4' energy: -93.843
flat angles P-C4'-P energy: -61.128
tors. eta vs tors. theta energy: -62.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -871.716531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.716531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.716531 (E_RNA)
where:
Base-Base interactions energy: -531.154
where: short stacking energy: -238.099
Base-Backbone interact. energy: -1.710
local terms energy: -338.852469
where:
bonds (distance) C4'-P energy: -82.034
bonds (distance) P-C4' energy: -101.454
flat angles C4'-P-C4' energy: -87.065
flat angles P-C4'-P energy: -50.104
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: 149
Temperature: 1.350000
Total energy: -627.554308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.554308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.554308 (E_RNA)
where:
Base-Base interactions energy: -316.934
where: short stacking energy: -159.847
Base-Backbone interact. energy: 2.717
local terms energy: -313.337066
where:
bonds (distance) C4'-P energy: -80.175
bonds (distance) P-C4' energy: -71.859
flat angles C4'-P-C4' energy: -99.166
flat angles P-C4'-P energy: -58.746
tors. eta vs tors. theta energy: -3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1819.930984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.930984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.930984 (E_RNA)
where:
Base-Base interactions energy: -1257.365
where: short stacking energy: -543.918
Base-Backbone interact. energy: -2.941
local terms energy: -559.624874
where:
bonds (distance) C4'-P energy: -107.689
bonds (distance) P-C4' energy: -113.747
flat angles C4'-P-C4' energy: -118.396
flat angles P-C4'-P energy: -69.395
tors. eta vs tors. theta energy: -150.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1809.681572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.681572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.681572 (E_RNA)
where:
Base-Base interactions energy: -1263.451
where: short stacking energy: -531.578
Base-Backbone interact. energy: -5.396
local terms energy: -540.834534
where:
bonds (distance) C4'-P energy: -98.981
bonds (distance) P-C4' energy: -95.446
flat angles C4'-P-C4' energy: -115.995
flat angles P-C4'-P energy: -82.495
tors. eta vs tors. theta energy: -147.918
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: 150
Temperature: 1.000000
Total energy: -1710.311902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.311902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.311902 (E_RNA)
where:
Base-Base interactions energy: -1166.204
where: short stacking energy: -505.085
Base-Backbone interact. energy: -0.193
local terms energy: -543.915278
where:
bonds (distance) C4'-P energy: -117.479
bonds (distance) P-C4' energy: -95.019
flat angles C4'-P-C4' energy: -111.693
flat angles P-C4'-P energy: -72.400
tors. eta vs tors. theta energy: -147.325
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: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1543.934477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.934477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.934477 (E_RNA)
where:
Base-Base interactions energy: -1029.075
where: short stacking energy: -458.016
Base-Backbone interact. energy: -3.286
local terms energy: -511.572938
where:
bonds (distance) C4'-P energy: -110.498
bonds (distance) P-C4' energy: -92.588
flat angles C4'-P-C4' energy: -111.097
flat angles P-C4'-P energy: -66.553
tors. eta vs tors. theta energy: -130.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1403.271628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.271628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.271628 (E_RNA)
where:
Base-Base interactions energy: -967.568
where: short stacking energy: -407.859
Base-Backbone interact. energy: -3.381
local terms energy: -432.322135
where:
bonds (distance) C4'-P energy: -92.021
bonds (distance) P-C4' energy: -84.053
flat angles C4'-P-C4' energy: -94.803
flat angles P-C4'-P energy: -62.199
tors. eta vs tors. theta energy: -99.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1412.908119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.908119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.908119 (E_RNA)
where:
Base-Base interactions energy: -945.139
where: short stacking energy: -382.031
Base-Backbone interact. energy: 1.381
local terms energy: -469.149401
where:
bonds (distance) C4'-P energy: -91.534
bonds (distance) P-C4' energy: -97.217
flat angles C4'-P-C4' energy: -103.950
flat angles P-C4'-P energy: -76.497
tors. eta vs tors. theta energy: -99.952
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: 6
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1267.929433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.929433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.929433 (E_RNA)
where:
Base-Base interactions energy: -815.999
where: short stacking energy: -340.666
Base-Backbone interact. energy: -2.969
local terms energy: -448.961391
where:
bonds (distance) C4'-P energy: -89.808
bonds (distance) P-C4' energy: -91.253
flat angles C4'-P-C4' energy: -108.485
flat angles P-C4'-P energy: -75.396
tors. eta vs tors. theta energy: -84.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1112.069343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.069343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.069343 (E_RNA)
where:
Base-Base interactions energy: -721.212
where: short stacking energy: -311.476
Base-Backbone interact. energy: -0.180
local terms energy: -390.677646
where:
bonds (distance) C4'-P energy: -87.566
bonds (distance) P-C4' energy: -91.522
flat angles C4'-P-C4' energy: -101.532
flat angles P-C4'-P energy: -49.690
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: 3
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -884.368916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.368916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.368916 (E_RNA)
where:
Base-Base interactions energy: -535.057
where: short stacking energy: -272.014
Base-Backbone interact. energy: -1.675
local terms energy: -347.636884
where:
bonds (distance) C4'-P energy: -75.572
bonds (distance) P-C4' energy: -85.416
flat angles C4'-P-C4' energy: -94.247
flat angles P-C4'-P energy: -50.500
tors. eta vs tors. theta energy: -41.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -581.677637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.677637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.677637 (E_RNA)
where:
Base-Base interactions energy: -315.980
where: short stacking energy: -161.525
Base-Backbone interact. energy: 2.423
local terms energy: -268.121104
where:
bonds (distance) C4'-P energy: -78.349
bonds (distance) P-C4' energy: -69.201
flat angles C4'-P-C4' energy: -76.417
flat angles P-C4'-P energy: -42.875
tors. eta vs tors. theta energy: -1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1789.907390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.907390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.907390 (E_RNA)
where:
Base-Base interactions energy: -1244.260
where: short stacking energy: -515.535
Base-Backbone interact. energy: -3.471
local terms energy: -542.176751
where:
bonds (distance) C4'-P energy: -90.633
bonds (distance) P-C4' energy: -109.705
flat angles C4'-P-C4' energy: -121.285
flat angles P-C4'-P energy: -76.092
tors. eta vs tors. theta energy: -144.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1786.655992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.655992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.655992 (E_RNA)
where:
Base-Base interactions energy: -1211.211
where: short stacking energy: -531.844
Base-Backbone interact. energy: -2.030
local terms energy: -573.415258
where:
bonds (distance) C4'-P energy: -100.616
bonds (distance) P-C4' energy: -97.233
flat angles C4'-P-C4' energy: -120.480
flat angles P-C4'-P energy: -90.393
tors. eta vs tors. theta energy: -164.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1717.359635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.359635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.359635 (E_RNA)
where:
Base-Base interactions energy: -1171.309
where: short stacking energy: -518.095
Base-Backbone interact. energy: -6.030
local terms energy: -540.021559
where:
bonds (distance) C4'-P energy: -109.513
bonds (distance) P-C4' energy: -111.099
flat angles C4'-P-C4' energy: -108.565
flat angles P-C4'-P energy: -71.638
tors. eta vs tors. theta energy: -139.206
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: 4, replica: 7
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1550.975894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.975894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.975894 (E_RNA)
where:
Base-Base interactions energy: -1031.936
where: short stacking energy: -459.262
Base-Backbone interact. energy: -0.799
local terms energy: -518.240951
where:
bonds (distance) C4'-P energy: -92.662
bonds (distance) P-C4' energy: -117.726
flat angles C4'-P-C4' energy: -116.785
flat angles P-C4'-P energy: -67.118
tors. eta vs tors. theta energy: -123.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1385.189378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.189378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.189378 (E_RNA)
where:
Base-Base interactions energy: -921.990
where: short stacking energy: -387.881
Base-Backbone interact. energy: -1.664
local terms energy: -461.534840
where:
bonds (distance) C4'-P energy: -87.029
bonds (distance) P-C4' energy: -90.776
flat angles C4'-P-C4' energy: -114.848
flat angles P-C4'-P energy: -74.125
tors. eta vs tors. theta energy: -94.756
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: 6, replica: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1430.527679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.527679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.527679 (E_RNA)
where:
Base-Base interactions energy: -958.300
where: short stacking energy: -422.774
Base-Backbone interact. energy: 0.354
local terms energy: -472.581711
where:
bonds (distance) C4'-P energy: -96.825
bonds (distance) P-C4' energy: -104.658
flat angles C4'-P-C4' energy: -95.929
flat angles P-C4'-P energy: -64.948
tors. eta vs tors. theta energy: -110.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1275.634810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.634810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.634810 (E_RNA)
where:
Base-Base interactions energy: -861.093
where: short stacking energy: -362.239
Base-Backbone interact. energy: -3.953
local terms energy: -410.589569
where:
bonds (distance) C4'-P energy: -83.966
bonds (distance) P-C4' energy: -78.589
flat angles C4'-P-C4' energy: -98.083
flat angles P-C4'-P energy: -57.715
tors. eta vs tors. theta energy: -92.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1116.425850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.425850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.425850 (E_RNA)
where:
Base-Base interactions energy: -731.173
where: short stacking energy: -322.023
Base-Backbone interact. energy: 1.148
local terms energy: -386.401467
where:
bonds (distance) C4'-P energy: -74.172
bonds (distance) P-C4' energy: -83.715
flat angles C4'-P-C4' energy: -103.581
flat angles P-C4'-P energy: -62.365
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: 9, replica: 3
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -841.061963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.061963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.061963 (E_RNA)
where:
Base-Base interactions energy: -502.835
where: short stacking energy: -245.016
Base-Backbone interact. energy: 1.430
local terms energy: -339.657639
where:
bonds (distance) C4'-P energy: -80.184
bonds (distance) P-C4' energy: -93.267
flat angles C4'-P-C4' energy: -95.810
flat angles P-C4'-P energy: -47.288
tors. eta vs tors. theta energy: -23.108
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: 151
Temperature: 1.350000
Total energy: -562.841115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.841115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.841115 (E_RNA)
where:
Base-Base interactions energy: -279.570
where: short stacking energy: -159.019
Base-Backbone interact. energy: 2.987
local terms energy: -286.258099
where:
bonds (distance) C4'-P energy: -85.343
bonds (distance) P-C4' energy: -80.474
flat angles C4'-P-C4' energy: -80.887
flat angles P-C4'-P energy: -32.997
tors. eta vs tors. theta energy: -6.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1830.120380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.120380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.120380 (E_RNA)
where:
Base-Base interactions energy: -1275.624
where: short stacking energy: -546.147
Base-Backbone interact. energy: -4.295
local terms energy: -550.201176
where:
bonds (distance) C4'-P energy: -94.495
bonds (distance) P-C4' energy: -109.082
flat angles C4'-P-C4' energy: -119.146
flat angles P-C4'-P energy: -80.728
tors. eta vs tors. theta energy: -146.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1787.018231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.018231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.018231 (E_RNA)
where:
Base-Base interactions energy: -1232.269
where: short stacking energy: -528.157
Base-Backbone interact. energy: -1.544
local terms energy: -553.205180
where:
bonds (distance) C4'-P energy: -111.546
bonds (distance) P-C4' energy: -107.603
flat angles C4'-P-C4' energy: -124.004
flat angles P-C4'-P energy: -60.393
tors. eta vs tors. theta energy: -149.659
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: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1677.129539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.129539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.129539 (E_RNA)
where:
Base-Base interactions energy: -1148.497
where: short stacking energy: -490.807
Base-Backbone interact. energy: -1.320
local terms energy: -527.313076
where:
bonds (distance) C4'-P energy: -97.252
bonds (distance) P-C4' energy: -103.878
flat angles C4'-P-C4' energy: -117.780
flat angles P-C4'-P energy: -75.574
tors. eta vs tors. theta energy: -132.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1557.309867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.309867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.309867 (E_RNA)
where:
Base-Base interactions energy: -1036.474
where: short stacking energy: -465.178
Base-Backbone interact. energy: 0.027
local terms energy: -520.863249
where:
bonds (distance) C4'-P energy: -101.593
bonds (distance) P-C4' energy: -101.197
flat angles C4'-P-C4' energy: -111.810
flat angles P-C4'-P energy: -74.455
tors. eta vs tors. theta energy: -131.809
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: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1453.439453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.439453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.439453 (E_RNA)
where:
Base-Base interactions energy: -960.887
where: short stacking energy: -402.871
Base-Backbone interact. energy: -0.111
local terms energy: -492.441555
where:
bonds (distance) C4'-P energy: -97.269
bonds (distance) P-C4' energy: -101.734
flat angles C4'-P-C4' energy: -112.014
flat angles P-C4'-P energy: -66.981
tors. eta vs tors. theta energy: -114.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1345.356499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.356499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.356499 (E_RNA)
where:
Base-Base interactions energy: -872.601
where: short stacking energy: -378.646
Base-Backbone interact. energy: -1.048
local terms energy: -471.707558
where:
bonds (distance) C4'-P energy: -94.291
bonds (distance) P-C4' energy: -108.127
flat angles C4'-P-C4' energy: -104.398
flat angles P-C4'-P energy: -71.497
tors. eta vs tors. theta energy: -93.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1320.170294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.170294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.170294 (E_RNA)
where:
Base-Base interactions energy: -866.483
where: short stacking energy: -377.876
Base-Backbone interact. energy: 4.836
local terms energy: -458.523208
where:
bonds (distance) C4'-P energy: -97.318
bonds (distance) P-C4' energy: -100.233
flat angles C4'-P-C4' energy: -108.763
flat angles P-C4'-P energy: -59.141
tors. eta vs tors. theta energy: -93.068
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: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1105.518881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.518881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.518881 (E_RNA)
where:
Base-Base interactions energy: -714.391
where: short stacking energy: -308.851
Base-Backbone interact. energy: 8.067
local terms energy: -399.194926
where:
bonds (distance) C4'-P energy: -91.219
bonds (distance) P-C4' energy: -87.097
flat angles C4'-P-C4' energy: -90.628
flat angles P-C4'-P energy: -59.263
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: 9, replica: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -876.084234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.084234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.084234 (E_RNA)
where:
Base-Base interactions energy: -536.921
where: short stacking energy: -243.433
Base-Backbone interact. energy: 0.623
local terms energy: -339.786565
where:
bonds (distance) C4'-P energy: -78.893
bonds (distance) P-C4' energy: -97.554
flat angles C4'-P-C4' energy: -72.905
flat angles P-C4'-P energy: -64.365
tors. eta vs tors. theta energy: -26.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -577.375448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.375448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.375448 (E_RNA)
where:
Base-Base interactions energy: -301.874
where: short stacking energy: -157.026
Base-Backbone interact. energy: 0.222
local terms energy: -275.723953
where:
bonds (distance) C4'-P energy: -81.421
bonds (distance) P-C4' energy: -80.017
flat angles C4'-P-C4' energy: -78.833
flat angles P-C4'-P energy: -49.856
tors. eta vs tors. theta energy: 14.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1823.333955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.333955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.333955 (E_RNA)
where:
Base-Base interactions energy: -1260.989
where: short stacking energy: -539.422
Base-Backbone interact. energy: -4.608
local terms energy: -557.736528
where:
bonds (distance) C4'-P energy: -110.977
bonds (distance) P-C4' energy: -107.837
flat angles C4'-P-C4' energy: -116.423
flat angles P-C4'-P energy: -77.860
tors. eta vs tors. theta energy: -144.640
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: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1776.239733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.239733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.239733 (E_RNA)
where:
Base-Base interactions energy: -1202.292
where: short stacking energy: -529.767
Base-Backbone interact. energy: -3.007
local terms energy: -570.941008
where:
bonds (distance) C4'-P energy: -118.154
bonds (distance) P-C4' energy: -103.985
flat angles C4'-P-C4' energy: -115.673
flat angles P-C4'-P energy: -85.433
tors. eta vs tors. theta energy: -147.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1723.267860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.267860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.267860 (E_RNA)
where:
Base-Base interactions energy: -1175.920
where: short stacking energy: -522.996
Base-Backbone interact. energy: -2.195
local terms energy: -545.153387
where:
bonds (distance) C4'-P energy: -98.737
bonds (distance) P-C4' energy: -101.392
flat angles C4'-P-C4' energy: -113.694
flat angles P-C4'-P energy: -88.971
tors. eta vs tors. theta energy: -142.360
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: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1553.862779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.862779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.862779 (E_RNA)
where:
Base-Base interactions energy: -1054.837
where: short stacking energy: -468.523
Base-Backbone interact. energy: -0.217
local terms energy: -498.808510
where:
bonds (distance) C4'-P energy: -88.684
bonds (distance) P-C4' energy: -98.586
flat angles C4'-P-C4' energy: -106.077
flat angles P-C4'-P energy: -74.482
tors. eta vs tors. theta energy: -130.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1493.475148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.475148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.475148 (E_RNA)
where:
Base-Base interactions energy: -1022.608
where: short stacking energy: -428.520
Base-Backbone interact. energy: -1.814
local terms energy: -469.053681
where:
bonds (distance) C4'-P energy: -107.650
bonds (distance) P-C4' energy: -83.765
flat angles C4'-P-C4' energy: -106.406
flat angles P-C4'-P energy: -61.694
tors. eta vs tors. theta energy: -109.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1366.185572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.185572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.185572 (E_RNA)
where:
Base-Base interactions energy: -933.101
where: short stacking energy: -401.927
Base-Backbone interact. energy: 1.912
local terms energy: -434.997095
where:
bonds (distance) C4'-P energy: -96.372
bonds (distance) P-C4' energy: -90.013
flat angles C4'-P-C4' energy: -99.813
flat angles P-C4'-P energy: -55.393
tors. eta vs tors. theta energy: -93.405
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: 6
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1366.925107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.925107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.925107 (E_RNA)
where:
Base-Base interactions energy: -908.846
where: short stacking energy: -370.460
Base-Backbone interact. energy: -2.638
local terms energy: -455.440805
where:
bonds (distance) C4'-P energy: -96.892
bonds (distance) P-C4' energy: -92.834
flat angles C4'-P-C4' energy: -108.128
flat angles P-C4'-P energy: -57.395
tors. eta vs tors. theta energy: -100.191
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: 8, replica: 9
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1089.915754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.915754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.915754 (E_RNA)
where:
Base-Base interactions energy: -680.725
where: short stacking energy: -294.744
Base-Backbone interact. energy: -2.136
local terms energy: -407.054684
where:
bonds (distance) C4'-P energy: -96.497
bonds (distance) P-C4' energy: -95.963
flat angles C4'-P-C4' energy: -93.495
flat angles P-C4'-P energy: -55.889
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: 9, replica: 3
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -905.863109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.863109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.863109 (E_RNA)
where:
Base-Base interactions energy: -558.619
where: short stacking energy: -254.508
Base-Backbone interact. energy: -0.922
local terms energy: -346.322364
where:
bonds (distance) C4'-P energy: -90.033
bonds (distance) P-C4' energy: -91.116
flat angles C4'-P-C4' energy: -79.642
flat angles P-C4'-P energy: -59.145
tors. eta vs tors. theta energy: -26.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -601.158525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.158525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.158525 (E_RNA)
where:
Base-Base interactions energy: -276.039
where: short stacking energy: -157.130
Base-Backbone interact. energy: -2.431
local terms energy: -322.687919
where:
bonds (distance) C4'-P energy: -88.213
bonds (distance) P-C4' energy: -98.144
flat angles C4'-P-C4' energy: -98.650
flat angles P-C4'-P energy: -50.767
tors. eta vs tors. theta energy: 13.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1817.273571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.273571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.273571 (E_RNA)
where:
Base-Base interactions energy: -1250.959
where: short stacking energy: -550.832
Base-Backbone interact. energy: -2.310
local terms energy: -564.004710
where:
bonds (distance) C4'-P energy: -107.564
bonds (distance) P-C4' energy: -112.205
flat angles C4'-P-C4' energy: -121.971
flat angles P-C4'-P energy: -69.412
tors. eta vs tors. theta energy: -152.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1781.157251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.157251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.157251 (E_RNA)
where:
Base-Base interactions energy: -1211.361
where: short stacking energy: -533.003
Base-Backbone interact. energy: -2.784
local terms energy: -567.012319
where:
bonds (distance) C4'-P energy: -104.507
bonds (distance) P-C4' energy: -114.953
flat angles C4'-P-C4' energy: -107.797
flat angles P-C4'-P energy: -85.838
tors. eta vs tors. theta energy: -153.918
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: 154
Temperature: 1.000000
Total energy: -1724.532736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.532736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.532736 (E_RNA)
where:
Base-Base interactions energy: -1182.846
where: short stacking energy: -515.607
Base-Backbone interact. energy: -2.320
local terms energy: -539.366991
where:
bonds (distance) C4'-P energy: -101.190
bonds (distance) P-C4' energy: -102.634
flat angles C4'-P-C4' energy: -122.196
flat angles P-C4'-P energy: -64.608
tors. eta vs tors. theta energy: -148.738
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: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1550.141178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.141178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.141178 (E_RNA)
where:
Base-Base interactions energy: -1022.249
where: short stacking energy: -429.150
Base-Backbone interact. energy: 0.274
local terms energy: -528.165468
where:
bonds (distance) C4'-P energy: -107.365
bonds (distance) P-C4' energy: -104.992
flat angles C4'-P-C4' energy: -119.907
flat angles P-C4'-P energy: -81.763
tors. eta vs tors. theta energy: -114.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1455.757750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.757750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.757750 (E_RNA)
where:
Base-Base interactions energy: -984.979
where: short stacking energy: -412.024
Base-Backbone interact. energy: -2.796
local terms energy: -467.982836
where:
bonds (distance) C4'-P energy: -94.793
bonds (distance) P-C4' energy: -97.541
flat angles C4'-P-C4' energy: -113.936
flat angles P-C4'-P energy: -66.371
tors. eta vs tors. theta energy: -95.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1332.946340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.946340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.946340 (E_RNA)
where:
Base-Base interactions energy: -898.791
where: short stacking energy: -375.861
Base-Backbone interact. energy: 0.166
local terms energy: -434.321711
where:
bonds (distance) C4'-P energy: -85.100
bonds (distance) P-C4' energy: -97.761
flat angles C4'-P-C4' energy: -102.412
flat angles P-C4'-P energy: -65.503
tors. eta vs tors. theta energy: -83.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1339.548276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.548276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.548276 (E_RNA)
where:
Base-Base interactions energy: -886.304
where: short stacking energy: -392.059
Base-Backbone interact. energy: -1.690
local terms energy: -451.554347
where:
bonds (distance) C4'-P energy: -100.774
bonds (distance) P-C4' energy: -85.471
flat angles C4'-P-C4' energy: -95.231
flat angles P-C4'-P energy: -76.632
tors. eta vs tors. theta energy: -93.446
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: 8, replica: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1128.615140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.615140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.615140 (E_RNA)
where:
Base-Base interactions energy: -722.968
where: short stacking energy: -313.248
Base-Backbone interact. energy: 2.385
local terms energy: -408.032038
where:
bonds (distance) C4'-P energy: -84.288
bonds (distance) P-C4' energy: -89.908
flat angles C4'-P-C4' energy: -104.949
flat angles P-C4'-P energy: -51.166
tors. eta vs tors. theta energy: -77.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -884.928444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.928444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.928444 (E_RNA)
where:
Base-Base interactions energy: -498.091
where: short stacking energy: -223.627
Base-Backbone interact. energy: -2.966
local terms energy: -383.871999
where:
bonds (distance) C4'-P energy: -101.149
bonds (distance) P-C4' energy: -100.277
flat angles C4'-P-C4' energy: -95.232
flat angles P-C4'-P energy: -50.591
tors. eta vs tors. theta energy: -36.623
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: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -570.209389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.209389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.209389 (E_RNA)
where:
Base-Base interactions energy: -295.495
where: short stacking energy: -184.773
Base-Backbone interact. energy: -1.063
local terms energy: -273.651555
where:
bonds (distance) C4'-P energy: -67.501
bonds (distance) P-C4' energy: -84.990
flat angles C4'-P-C4' energy: -85.676
flat angles P-C4'-P energy: -38.758
tors. eta vs tors. theta energy: 3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1801.784993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.784993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.784993 (E_RNA)
where:
Base-Base interactions energy: -1208.507
where: short stacking energy: -526.285
Base-Backbone interact. energy: -2.725
local terms energy: -590.552757
where:
bonds (distance) C4'-P energy: -101.419
bonds (distance) P-C4' energy: -115.864
flat angles C4'-P-C4' energy: -131.626
flat angles P-C4'-P energy: -90.997
tors. eta vs tors. theta energy: -150.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1784.402911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.402911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.402911 (E_RNA)
where:
Base-Base interactions energy: -1233.431
where: short stacking energy: -542.837
Base-Backbone interact. energy: 1.987
local terms energy: -552.958661
where:
bonds (distance) C4'-P energy: -105.275
bonds (distance) P-C4' energy: -112.872
flat angles C4'-P-C4' energy: -114.910
flat angles P-C4'-P energy: -66.632
tors. eta vs tors. theta energy: -153.271
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: 155
Temperature: 1.000000
Total energy: -1692.682224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.682224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.682224 (E_RNA)
where:
Base-Base interactions energy: -1154.712
where: short stacking energy: -501.216
Base-Backbone interact. energy: 0.000
local terms energy: -537.970312
where:
bonds (distance) C4'-P energy: -109.729
bonds (distance) P-C4' energy: -98.156
flat angles C4'-P-C4' energy: -114.750
flat angles P-C4'-P energy: -72.500
tors. eta vs tors. theta energy: -142.835
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: 7
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1545.823903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.823903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.823903 (E_RNA)
where:
Base-Base interactions energy: -1027.029
where: short stacking energy: -451.020
Base-Backbone interact. energy: -0.179
local terms energy: -518.615498
where:
bonds (distance) C4'-P energy: -102.598
bonds (distance) P-C4' energy: -96.939
flat angles C4'-P-C4' energy: -121.395
flat angles P-C4'-P energy: -69.346
tors. eta vs tors. theta energy: -128.337
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: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1453.638707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.638707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.638707 (E_RNA)
where:
Base-Base interactions energy: -953.079
where: short stacking energy: -403.359
Base-Backbone interact. energy: -2.651
local terms energy: -497.909095
where:
bonds (distance) C4'-P energy: -96.435
bonds (distance) P-C4' energy: -105.182
flat angles C4'-P-C4' energy: -110.924
flat angles P-C4'-P energy: -75.278
tors. eta vs tors. theta energy: -110.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1434.572855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.572855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.572855 (E_RNA)
where:
Base-Base interactions energy: -968.372
where: short stacking energy: -419.157
Base-Backbone interact. energy: 1.917
local terms energy: -468.118080
where:
bonds (distance) C4'-P energy: -103.431
bonds (distance) P-C4' energy: -74.610
flat angles C4'-P-C4' energy: -106.197
flat angles P-C4'-P energy: -68.584
tors. eta vs tors. theta energy: -115.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1294.779172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.779172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.779172 (E_RNA)
where:
Base-Base interactions energy: -851.076
where: short stacking energy: -352.108
Base-Backbone interact. energy: 3.603
local terms energy: -447.306502
where:
bonds (distance) C4'-P energy: -95.349
bonds (distance) P-C4' energy: -96.001
flat angles C4'-P-C4' energy: -116.265
flat angles P-C4'-P energy: -71.981
tors. eta vs tors. theta energy: -67.711
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: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1136.295300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.295300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.295300 (E_RNA)
where:
Base-Base interactions energy: -732.878
where: short stacking energy: -334.451
Base-Backbone interact. energy: -3.035
local terms energy: -400.382323
where:
bonds (distance) C4'-P energy: -88.627
bonds (distance) P-C4' energy: -76.433
flat angles C4'-P-C4' energy: -93.117
flat angles P-C4'-P energy: -64.833
tors. eta vs tors. theta energy: -77.373
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: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -880.880210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.880210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.880210 (E_RNA)
where:
Base-Base interactions energy: -534.248
where: short stacking energy: -257.064
Base-Backbone interact. energy: 4.716
local terms energy: -351.348234
where:
bonds (distance) C4'-P energy: -76.447
bonds (distance) P-C4' energy: -106.423
flat angles C4'-P-C4' energy: -80.363
flat angles P-C4'-P energy: -55.929
tors. eta vs tors. theta energy: -32.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -501.600844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.600844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.600844 (E_RNA)
where:
Base-Base interactions energy: -202.987
where: short stacking energy: -146.432
Base-Backbone interact. energy: -0.919
local terms energy: -297.694872
where:
bonds (distance) C4'-P energy: -76.406
bonds (distance) P-C4' energy: -86.217
flat angles C4'-P-C4' energy: -87.416
flat angles P-C4'-P energy: -61.726
tors. eta vs tors. theta energy: 14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1817.492318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.492318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.492318 (E_RNA)
where:
Base-Base interactions energy: -1251.022
where: short stacking energy: -532.561
Base-Backbone interact. energy: 1.874
local terms energy: -568.344943
where:
bonds (distance) C4'-P energy: -110.938
bonds (distance) P-C4' energy: -101.410
flat angles C4'-P-C4' energy: -125.502
flat angles P-C4'-P energy: -76.702
tors. eta vs tors. theta energy: -153.793
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: 2, replica: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1756.088832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.088832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.088832 (E_RNA)
where:
Base-Base interactions energy: -1211.678
where: short stacking energy: -507.980
Base-Backbone interact. energy: -0.165
local terms energy: -544.246261
where:
bonds (distance) C4'-P energy: -98.862
bonds (distance) P-C4' energy: -103.515
flat angles C4'-P-C4' energy: -118.113
flat angles P-C4'-P energy: -83.430
tors. eta vs tors. theta energy: -140.327
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: 156
Temperature: 1.000000
Total energy: -1758.056330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.056330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.056330 (E_RNA)
where:
Base-Base interactions energy: -1211.805
where: short stacking energy: -513.640
Base-Backbone interact. energy: 1.163
local terms energy: -547.414600
where:
bonds (distance) C4'-P energy: -101.836
bonds (distance) P-C4' energy: -98.078
flat angles C4'-P-C4' energy: -122.774
flat angles P-C4'-P energy: -84.024
tors. eta vs tors. theta energy: -140.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1534.867917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.867917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.867917 (E_RNA)
where:
Base-Base interactions energy: -1041.524
where: short stacking energy: -453.989
Base-Backbone interact. energy: -1.029
local terms energy: -492.315356
where:
bonds (distance) C4'-P energy: -80.653
bonds (distance) P-C4' energy: -105.645
flat angles C4'-P-C4' energy: -111.765
flat angles P-C4'-P energy: -72.583
tors. eta vs tors. theta energy: -121.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1489.558094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.558094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.558094 (E_RNA)
where:
Base-Base interactions energy: -1009.216
where: short stacking energy: -416.177
Base-Backbone interact. energy: -3.615
local terms energy: -476.727187
where:
bonds (distance) C4'-P energy: -93.259
bonds (distance) P-C4' energy: -109.507
flat angles C4'-P-C4' energy: -106.119
flat angles P-C4'-P energy: -66.129
tors. eta vs tors. theta energy: -101.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1405.320524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.320524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.320524 (E_RNA)
where:
Base-Base interactions energy: -922.020
where: short stacking energy: -397.088
Base-Backbone interact. energy: -1.152
local terms energy: -482.148369
where:
bonds (distance) C4'-P energy: -93.521
bonds (distance) P-C4' energy: -97.505
flat angles C4'-P-C4' energy: -110.366
flat angles P-C4'-P energy: -74.624
tors. eta vs tors. theta energy: -106.133
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: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1263.497883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.497883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.497883 (E_RNA)
where:
Base-Base interactions energy: -823.054
where: short stacking energy: -363.955
Base-Backbone interact. energy: -0.385
local terms energy: -440.058920
where:
bonds (distance) C4'-P energy: -82.050
bonds (distance) P-C4' energy: -100.250
flat angles C4'-P-C4' energy: -102.450
flat angles P-C4'-P energy: -62.224
tors. eta vs tors. theta energy: -93.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1119.976539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.976539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.976539 (E_RNA)
where:
Base-Base interactions energy: -753.877
where: short stacking energy: -348.656
Base-Backbone interact. energy: -1.969
local terms energy: -364.130205
where:
bonds (distance) C4'-P energy: -78.288
bonds (distance) P-C4' energy: -86.788
flat angles C4'-P-C4' energy: -81.130
flat angles P-C4'-P energy: -53.412
tors. eta vs tors. theta energy: -64.512
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: 3
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -838.391060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.391060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.391060 (E_RNA)
where:
Base-Base interactions energy: -475.166
where: short stacking energy: -224.286
Base-Backbone interact. energy: 5.403
local terms energy: -368.627426
where:
bonds (distance) C4'-P energy: -93.270
bonds (distance) P-C4' energy: -92.399
flat angles C4'-P-C4' energy: -82.838
flat angles P-C4'-P energy: -61.537
tors. eta vs tors. theta energy: -38.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -472.678935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.678935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.678935 (E_RNA)
where:
Base-Base interactions energy: -205.526
where: short stacking energy: -158.811
Base-Backbone interact. energy: 0.980
local terms energy: -268.133370
where:
bonds (distance) C4'-P energy: -71.763
bonds (distance) P-C4' energy: -82.791
flat angles C4'-P-C4' energy: -66.600
flat angles P-C4'-P energy: -43.842
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1825.141871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.141871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.141871 (E_RNA)
where:
Base-Base interactions energy: -1231.400
where: short stacking energy: -542.782
Base-Backbone interact. energy: -2.104
local terms energy: -591.637562
where:
bonds (distance) C4'-P energy: -109.805
bonds (distance) P-C4' energy: -112.488
flat angles C4'-P-C4' energy: -126.417
flat angles P-C4'-P energy: -84.055
tors. eta vs tors. theta energy: -158.872
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: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1758.433546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.433546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.433546 (E_RNA)
where:
Base-Base interactions energy: -1186.230
where: short stacking energy: -503.846
Base-Backbone interact. energy: -3.270
local terms energy: -568.933919
where:
bonds (distance) C4'-P energy: -104.777
bonds (distance) P-C4' energy: -108.379
flat angles C4'-P-C4' energy: -123.301
flat angles P-C4'-P energy: -82.121
tors. eta vs tors. theta energy: -150.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1724.726107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.726107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.726107 (E_RNA)
where:
Base-Base interactions energy: -1170.237
where: short stacking energy: -503.145
Base-Backbone interact. energy: 2.111
local terms energy: -556.599623
where:
bonds (distance) C4'-P energy: -87.780
bonds (distance) P-C4' energy: -106.933
flat angles C4'-P-C4' energy: -126.647
flat angles P-C4'-P energy: -85.258
tors. eta vs tors. theta energy: -149.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1557.733877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.733877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.733877 (E_RNA)
where:
Base-Base interactions energy: -1038.629
where: short stacking energy: -470.395
Base-Backbone interact. energy: 5.086
local terms energy: -524.191498
where:
bonds (distance) C4'-P energy: -104.978
bonds (distance) P-C4' energy: -102.188
flat angles C4'-P-C4' energy: -114.672
flat angles P-C4'-P energy: -76.982
tors. eta vs tors. theta energy: -125.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1464.442050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.442050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.442050 (E_RNA)
where:
Base-Base interactions energy: -954.425
where: short stacking energy: -420.014
Base-Backbone interact. energy: -0.473
local terms energy: -509.544699
where:
bonds (distance) C4'-P energy: -105.720
bonds (distance) P-C4' energy: -114.463
flat angles C4'-P-C4' energy: -102.036
flat angles P-C4'-P energy: -70.039
tors. eta vs tors. theta energy: -117.287
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: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1437.984392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.984392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.984392 (E_RNA)
where:
Base-Base interactions energy: -949.255
where: short stacking energy: -427.544
Base-Backbone interact. energy: -1.720
local terms energy: -487.009909
where:
bonds (distance) C4'-P energy: -89.101
bonds (distance) P-C4' energy: -109.339
flat angles C4'-P-C4' energy: -111.604
flat angles P-C4'-P energy: -71.131
tors. eta vs tors. theta energy: -105.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1212.571311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.571311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.571311 (E_RNA)
where:
Base-Base interactions energy: -814.258
where: short stacking energy: -327.786
Base-Backbone interact. energy: -0.400
local terms energy: -397.913880
where:
bonds (distance) C4'-P energy: -97.002
bonds (distance) P-C4' energy: -96.611
flat angles C4'-P-C4' energy: -96.758
flat angles P-C4'-P energy: -55.791
tors. eta vs tors. theta energy: -51.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1118.414323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.414323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.414323 (E_RNA)
where:
Base-Base interactions energy: -744.507
where: short stacking energy: -319.795
Base-Backbone interact. energy: -3.013
local terms energy: -370.893583
where:
bonds (distance) C4'-P energy: -91.205
bonds (distance) P-C4' energy: -88.570
flat angles C4'-P-C4' energy: -80.283
flat angles P-C4'-P energy: -51.705
tors. eta vs tors. theta energy: -59.130
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: 9, replica: 3
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -890.701397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.701397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.701397 (E_RNA)
where:
Base-Base interactions energy: -567.968
where: short stacking energy: -238.705
Base-Backbone interact. energy: -3.098
local terms energy: -319.635082
where:
bonds (distance) C4'-P energy: -80.878
bonds (distance) P-C4' energy: -94.965
flat angles C4'-P-C4' energy: -77.168
flat angles P-C4'-P energy: -43.605
tors. eta vs tors. theta energy: -23.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -534.415304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.415304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.415304 (E_RNA)
where:
Base-Base interactions energy: -226.494
where: short stacking energy: -125.361
Base-Backbone interact. energy: 3.521
local terms energy: -311.442904
where:
bonds (distance) C4'-P energy: -95.027
bonds (distance) P-C4' energy: -102.634
flat angles C4'-P-C4' energy: -74.920
flat angles P-C4'-P energy: -55.999
tors. eta vs tors. theta energy: 17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1858.050643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.050643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.050643 (E_RNA)
where:
Base-Base interactions energy: -1266.875
where: short stacking energy: -542.775
Base-Backbone interact. energy: -0.578
local terms energy: -590.597475
where:
bonds (distance) C4'-P energy: -103.084
bonds (distance) P-C4' energy: -118.485
flat angles C4'-P-C4' energy: -122.144
flat angles P-C4'-P energy: -90.334
tors. eta vs tors. theta energy: -156.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1763.568731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.568731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.568731 (E_RNA)
where:
Base-Base interactions energy: -1221.994
where: short stacking energy: -513.358
Base-Backbone interact. energy: -4.573
local terms energy: -537.001582
where:
bonds (distance) C4'-P energy: -103.386
bonds (distance) P-C4' energy: -109.364
flat angles C4'-P-C4' energy: -114.505
flat angles P-C4'-P energy: -59.776
tors. eta vs tors. theta energy: -149.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1683.283027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.283027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.283027 (E_RNA)
where:
Base-Base interactions energy: -1138.213
where: short stacking energy: -513.886
Base-Backbone interact. energy: -2.506
local terms energy: -542.564012
where:
bonds (distance) C4'-P energy: -89.423
bonds (distance) P-C4' energy: -113.634
flat angles C4'-P-C4' energy: -116.949
flat angles P-C4'-P energy: -74.688
tors. eta vs tors. theta energy: -147.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1578.579283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.579283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.579283 (E_RNA)
where:
Base-Base interactions energy: -1070.185
where: short stacking energy: -442.331
Base-Backbone interact. energy: -2.894
local terms energy: -505.499766
where:
bonds (distance) C4'-P energy: -88.711
bonds (distance) P-C4' energy: -98.315
flat angles C4'-P-C4' energy: -121.473
flat angles P-C4'-P energy: -83.551
tors. eta vs tors. theta energy: -113.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1469.923015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.923015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.923015 (E_RNA)
where:
Base-Base interactions energy: -1000.930
where: short stacking energy: -428.648
Base-Backbone interact. energy: -0.372
local terms energy: -468.620501
where:
bonds (distance) C4'-P energy: -85.023
bonds (distance) P-C4' energy: -112.142
flat angles C4'-P-C4' energy: -102.343
flat angles P-C4'-P energy: -58.851
tors. eta vs tors. theta energy: -110.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1404.464494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.464494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.464494 (E_RNA)
where:
Base-Base interactions energy: -943.076
where: short stacking energy: -413.043
Base-Backbone interact. energy: -3.505
local terms energy: -457.882634
where:
bonds (distance) C4'-P energy: -58.752
bonds (distance) P-C4' energy: -104.795
flat angles C4'-P-C4' energy: -104.672
flat angles P-C4'-P energy: -73.939
tors. eta vs tors. theta energy: -115.724
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: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1213.004644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.004644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.004644 (E_RNA)
where:
Base-Base interactions energy: -780.528
where: short stacking energy: -341.647
Base-Backbone interact. energy: 4.005
local terms energy: -436.481344
where:
bonds (distance) C4'-P energy: -94.885
bonds (distance) P-C4' energy: -90.816
flat angles C4'-P-C4' energy: -104.620
flat angles P-C4'-P energy: -70.645
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: 8, replica: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1084.146254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.146254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.146254 (E_RNA)
where:
Base-Base interactions energy: -709.873
where: short stacking energy: -305.690
Base-Backbone interact. energy: -0.638
local terms energy: -373.635662
where:
bonds (distance) C4'-P energy: -80.573
bonds (distance) P-C4' energy: -92.752
flat angles C4'-P-C4' energy: -95.034
flat angles P-C4'-P energy: -51.119
tors. eta vs tors. theta energy: -54.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -908.824022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.824022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.824022 (E_RNA)
where:
Base-Base interactions energy: -577.914
where: short stacking energy: -228.590
Base-Backbone interact. energy: -2.137
local terms energy: -328.773177
where:
bonds (distance) C4'-P energy: -88.091
bonds (distance) P-C4' energy: -83.980
flat angles C4'-P-C4' energy: -77.847
flat angles P-C4'-P energy: -53.630
tors. eta vs tors. theta energy: -25.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -501.677747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.677747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.677747 (E_RNA)
where:
Base-Base interactions energy: -224.487
where: short stacking energy: -156.510
Base-Backbone interact. energy: 3.015
local terms energy: -280.205423
where:
bonds (distance) C4'-P energy: -84.565
bonds (distance) P-C4' energy: -85.372
flat angles C4'-P-C4' energy: -63.941
flat angles P-C4'-P energy: -42.645
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1879.192652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.192652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.192652 (E_RNA)
where:
Base-Base interactions energy: -1315.107
where: short stacking energy: -567.027
Base-Backbone interact. energy: -1.783
local terms energy: -562.302872
where:
bonds (distance) C4'-P energy: -98.127
bonds (distance) P-C4' energy: -109.255
flat angles C4'-P-C4' energy: -119.203
flat angles P-C4'-P energy: -80.059
tors. eta vs tors. theta energy: -155.660
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: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1729.672376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.672376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.672376 (E_RNA)
where:
Base-Base interactions energy: -1189.488
where: short stacking energy: -504.549
Base-Backbone interact. energy: -0.341
local terms energy: -539.843629
where:
bonds (distance) C4'-P energy: -100.984
bonds (distance) P-C4' energy: -103.691
flat angles C4'-P-C4' energy: -116.261
flat angles P-C4'-P energy: -76.628
tors. eta vs tors. theta energy: -142.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1704.205528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.205528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.205528 (E_RNA)
where:
Base-Base interactions energy: -1188.036
where: short stacking energy: -493.480
Base-Backbone interact. energy: -1.559
local terms energy: -514.609629
where:
bonds (distance) C4'-P energy: -106.855
bonds (distance) P-C4' energy: -93.797
flat angles C4'-P-C4' energy: -119.745
flat angles P-C4'-P energy: -65.574
tors. eta vs tors. theta energy: -128.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1556.150268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.150268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.150268 (E_RNA)
where:
Base-Base interactions energy: -1032.125
where: short stacking energy: -472.205
Base-Backbone interact. energy: -1.510
local terms energy: -522.514941
where:
bonds (distance) C4'-P energy: -110.001
bonds (distance) P-C4' energy: -105.941
flat angles C4'-P-C4' energy: -108.504
flat angles P-C4'-P energy: -67.259
tors. eta vs tors. theta energy: -130.810
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: 6
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1451.529017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.529017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.529017 (E_RNA)
where:
Base-Base interactions energy: -973.642
where: short stacking energy: -426.900
Base-Backbone interact. energy: 0.744
local terms energy: -478.631076
where:
bonds (distance) C4'-P energy: -93.039
bonds (distance) P-C4' energy: -93.219
flat angles C4'-P-C4' energy: -109.271
flat angles P-C4'-P energy: -65.911
tors. eta vs tors. theta energy: -117.192
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: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1438.155923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.155923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.155923 (E_RNA)
where:
Base-Base interactions energy: -988.557
where: short stacking energy: -425.077
Base-Backbone interact. energy: -1.316
local terms energy: -448.282989
where:
bonds (distance) C4'-P energy: -99.448
bonds (distance) P-C4' energy: -89.084
flat angles C4'-P-C4' energy: -82.137
flat angles P-C4'-P energy: -73.223
tors. eta vs tors. theta energy: -104.391
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: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1233.103781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.103781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.103781 (E_RNA)
where:
Base-Base interactions energy: -797.561
where: short stacking energy: -340.924
Base-Backbone interact. energy: -1.857
local terms energy: -433.685545
where:
bonds (distance) C4'-P energy: -84.769
bonds (distance) P-C4' energy: -101.041
flat angles C4'-P-C4' energy: -109.289
flat angles P-C4'-P energy: -53.840
tors. eta vs tors. theta energy: -84.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1101.330877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.330877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.330877 (E_RNA)
where:
Base-Base interactions energy: -714.570
where: short stacking energy: -319.351
Base-Backbone interact. energy: -2.306
local terms energy: -384.455150
where:
bonds (distance) C4'-P energy: -88.945
bonds (distance) P-C4' energy: -97.173
flat angles C4'-P-C4' energy: -80.100
flat angles P-C4'-P energy: -47.291
tors. eta vs tors. theta energy: -70.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -886.735870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.735870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.735870 (E_RNA)
where:
Base-Base interactions energy: -527.410
where: short stacking energy: -257.820
Base-Backbone interact. energy: 0.006
local terms energy: -359.332054
where:
bonds (distance) C4'-P energy: -90.326
bonds (distance) P-C4' energy: -99.342
flat angles C4'-P-C4' energy: -72.974
flat angles P-C4'-P energy: -57.282
tors. eta vs tors. theta energy: -39.408
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: 159
Temperature: 1.350000
Total energy: -502.730413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.730413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.730413 (E_RNA)
where:
Base-Base interactions energy: -207.382
where: short stacking energy: -135.713
Base-Backbone interact. energy: 4.503
local terms energy: -299.851474
where:
bonds (distance) C4'-P energy: -87.556
bonds (distance) P-C4' energy: -83.653
flat angles C4'-P-C4' energy: -78.733
flat angles P-C4'-P energy: -56.495
tors. eta vs tors. theta energy: 6.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1841.465373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.465373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.465373 (E_RNA)
where:
Base-Base interactions energy: -1253.029
where: short stacking energy: -536.672
Base-Backbone interact. energy: -1.439
local terms energy: -586.997752
where:
bonds (distance) C4'-P energy: -110.435
bonds (distance) P-C4' energy: -111.540
flat angles C4'-P-C4' energy: -124.307
flat angles P-C4'-P energy: -80.505
tors. eta vs tors. theta energy: -160.211
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: 2, replica: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1706.056796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.056796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.056796 (E_RNA)
where:
Base-Base interactions energy: -1142.593
where: short stacking energy: -509.874
Base-Backbone interact. energy: -7.172
local terms energy: -556.291426
where:
bonds (distance) C4'-P energy: -113.041
bonds (distance) P-C4' energy: -101.446
flat angles C4'-P-C4' energy: -113.562
flat angles P-C4'-P energy: -89.656
tors. eta vs tors. theta energy: -138.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1711.060323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.060323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.060323 (E_RNA)
where:
Base-Base interactions energy: -1196.608
where: short stacking energy: -507.352
Base-Backbone interact. energy: -2.862
local terms energy: -511.590151
where:
bonds (distance) C4'-P energy: -78.320
bonds (distance) P-C4' energy: -87.192
flat angles C4'-P-C4' energy: -117.997
flat angles P-C4'-P energy: -80.875
tors. eta vs tors. theta energy: -147.206
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: 4, replica: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1522.884486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.884486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.884486 (E_RNA)
where:
Base-Base interactions energy: -1010.773
where: short stacking energy: -456.180
Base-Backbone interact. energy: 2.488
local terms energy: -514.599616
where:
bonds (distance) C4'-P energy: -93.555
bonds (distance) P-C4' energy: -89.247
flat angles C4'-P-C4' energy: -123.946
flat angles P-C4'-P energy: -79.693
tors. eta vs tors. theta energy: -128.159
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: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1416.427854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.427854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.427854 (E_RNA)
where:
Base-Base interactions energy: -964.949
where: short stacking energy: -422.139
Base-Backbone interact. energy: 0.050
local terms energy: -451.529189
where:
bonds (distance) C4'-P energy: -94.628
bonds (distance) P-C4' energy: -103.696
flat angles C4'-P-C4' energy: -99.536
flat angles P-C4'-P energy: -57.587
tors. eta vs tors. theta energy: -96.083
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: 5
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1431.637003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.637003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.637003 (E_RNA)
where:
Base-Base interactions energy: -970.770
where: short stacking energy: -423.551
Base-Backbone interact. energy: -0.577
local terms energy: -460.289305
where:
bonds (distance) C4'-P energy: -96.740
bonds (distance) P-C4' energy: -98.802
flat angles C4'-P-C4' energy: -99.164
flat angles P-C4'-P energy: -54.244
tors. eta vs tors. theta energy: -111.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1268.729138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.729138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.729138 (E_RNA)
where:
Base-Base interactions energy: -837.671
where: short stacking energy: -358.555
Base-Backbone interact. energy: 4.190
local terms energy: -435.248072
where:
bonds (distance) C4'-P energy: -78.248
bonds (distance) P-C4' energy: -101.208
flat angles C4'-P-C4' energy: -103.377
flat angles P-C4'-P energy: -66.168
tors. eta vs tors. theta energy: -86.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1105.742696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.742696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.742696 (E_RNA)
where:
Base-Base interactions energy: -736.246
where: short stacking energy: -329.358
Base-Backbone interact. energy: -1.945
local terms energy: -367.551958
where:
bonds (distance) C4'-P energy: -74.534
bonds (distance) P-C4' energy: -99.851
flat angles C4'-P-C4' energy: -73.843
flat angles P-C4'-P energy: -46.494
tors. eta vs tors. theta energy: -72.830
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: 9, replica: 3
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -899.562748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.562748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.562748 (E_RNA)
where:
Base-Base interactions energy: -530.052
where: short stacking energy: -235.599
Base-Backbone interact. energy: -3.783
local terms energy: -365.727085
where:
bonds (distance) C4'-P energy: -87.039
bonds (distance) P-C4' energy: -109.180
flat angles C4'-P-C4' energy: -73.194
flat angles P-C4'-P energy: -46.203
tors. eta vs tors. theta energy: -50.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -517.307296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.307296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.307296 (E_RNA)
where:
Base-Base interactions energy: -240.446
where: short stacking energy: -160.914
Base-Backbone interact. energy: -2.076
local terms energy: -274.784708
where:
bonds (distance) C4'-P energy: -91.462
bonds (distance) P-C4' energy: -94.987
flat angles C4'-P-C4' energy: -56.348
flat angles P-C4'-P energy: -35.227
tors. eta vs tors. theta energy: 3.239
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: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1846.636666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.636666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.636666 (E_RNA)
where:
Base-Base interactions energy: -1281.578
where: short stacking energy: -550.906
Base-Backbone interact. energy: 1.297
local terms energy: -566.356260
where:
bonds (distance) C4'-P energy: -107.454
bonds (distance) P-C4' energy: -113.043
flat angles C4'-P-C4' energy: -121.271
flat angles P-C4'-P energy: -69.909
tors. eta vs tors. theta energy: -154.679
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: 4
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1732.928822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.928822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.928822 (E_RNA)
where:
Base-Base interactions energy: -1168.108
where: short stacking energy: -511.838
Base-Backbone interact. energy: -4.269
local terms energy: -560.551840
where:
bonds (distance) C4'-P energy: -110.451
bonds (distance) P-C4' energy: -106.409
flat angles C4'-P-C4' energy: -121.609
flat angles P-C4'-P energy: -71.803
tors. eta vs tors. theta energy: -150.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1722.714607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.714607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.714607 (E_RNA)
where:
Base-Base interactions energy: -1156.865
where: short stacking energy: -512.745
Base-Backbone interact. energy: -1.940
local terms energy: -563.909540
where:
bonds (distance) C4'-P energy: -104.059
bonds (distance) P-C4' energy: -120.443
flat angles C4'-P-C4' energy: -116.176
flat angles P-C4'-P energy: -74.780
tors. eta vs tors. theta energy: -148.451
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: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1558.153666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.153666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.153666 (E_RNA)
where:
Base-Base interactions energy: -1050.976
where: short stacking energy: -461.839
Base-Backbone interact. energy: -1.653
local terms energy: -505.524631
where:
bonds (distance) C4'-P energy: -112.502
bonds (distance) P-C4' energy: -95.349
flat angles C4'-P-C4' energy: -109.169
flat angles P-C4'-P energy: -69.600
tors. eta vs tors. theta energy: -118.905
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: 6
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1448.200098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.200098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.200098 (E_RNA)
where:
Base-Base interactions energy: -959.850
where: short stacking energy: -405.797
Base-Backbone interact. energy: -1.402
local terms energy: -486.947652
where:
bonds (distance) C4'-P energy: -98.524
bonds (distance) P-C4' energy: -109.710
flat angles C4'-P-C4' energy: -109.389
flat angles P-C4'-P energy: -67.918
tors. eta vs tors. theta energy: -101.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1439.719759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.719759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.719759 (E_RNA)
where:
Base-Base interactions energy: -963.547
where: short stacking energy: -424.003
Base-Backbone interact. energy: -2.569
local terms energy: -473.604551
where:
bonds (distance) C4'-P energy: -94.697
bonds (distance) P-C4' energy: -88.364
flat angles C4'-P-C4' energy: -103.039
flat angles P-C4'-P energy: -63.158
tors. eta vs tors. theta energy: -124.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1267.919073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.919073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.919073 (E_RNA)
where:
Base-Base interactions energy: -851.527
where: short stacking energy: -357.668
Base-Backbone interact. energy: -0.444
local terms energy: -415.948025
where:
bonds (distance) C4'-P energy: -93.496
bonds (distance) P-C4' energy: -101.172
flat angles C4'-P-C4' energy: -85.931
flat angles P-C4'-P energy: -51.292
tors. eta vs tors. theta energy: -84.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1142.634432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.634432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.634432 (E_RNA)
where:
Base-Base interactions energy: -743.263
where: short stacking energy: -316.934
Base-Backbone interact. energy: -1.670
local terms energy: -397.701185
where:
bonds (distance) C4'-P energy: -91.285
bonds (distance) P-C4' energy: -98.615
flat angles C4'-P-C4' energy: -95.555
flat angles P-C4'-P energy: -46.292
tors. eta vs tors. theta energy: -65.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -848.836548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.836548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.836548 (E_RNA)
where:
Base-Base interactions energy: -521.247
where: short stacking energy: -240.332
Base-Backbone interact. energy: 2.591
local terms energy: -330.180223
where:
bonds (distance) C4'-P energy: -89.033
bonds (distance) P-C4' energy: -96.011
flat angles C4'-P-C4' energy: -76.349
flat angles P-C4'-P energy: -42.929
tors. eta vs tors. theta energy: -25.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -530.674432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.674432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.674432 (E_RNA)
where:
Base-Base interactions energy: -210.122
where: short stacking energy: -149.959
Base-Backbone interact. energy: 2.004
local terms energy: -322.556369
where:
bonds (distance) C4'-P energy: -84.681
bonds (distance) P-C4' energy: -98.018
flat angles C4'-P-C4' energy: -86.760
flat angles P-C4'-P energy: -44.356
tors. eta vs tors. theta energy: -8.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1801.700144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.700144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.700144 (E_RNA)
where:
Base-Base interactions energy: -1228.450
where: short stacking energy: -528.183
Base-Backbone interact. energy: -1.979
local terms energy: -571.271162
where:
bonds (distance) C4'-P energy: -102.828
bonds (distance) P-C4' energy: -118.567
flat angles C4'-P-C4' energy: -116.818
flat angles P-C4'-P energy: -77.614
tors. eta vs tors. theta energy: -155.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1699.302075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.302075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.302075 (E_RNA)
where:
Base-Base interactions energy: -1153.470
where: short stacking energy: -513.551
Base-Backbone interact. energy: -1.182
local terms energy: -544.650424
where:
bonds (distance) C4'-P energy: -103.924
bonds (distance) P-C4' energy: -110.783
flat angles C4'-P-C4' energy: -117.706
flat angles P-C4'-P energy: -69.545
tors. eta vs tors. theta energy: -142.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1706.922856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.922856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.922856 (E_RNA)
where:
Base-Base interactions energy: -1177.361
where: short stacking energy: -509.215
Base-Backbone interact. energy: -1.935
local terms energy: -527.626599
where:
bonds (distance) C4'-P energy: -99.098
bonds (distance) P-C4' energy: -100.877
flat angles C4'-P-C4' energy: -113.041
flat angles P-C4'-P energy: -74.490
tors. eta vs tors. theta energy: -140.121
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: 4, replica: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1539.433520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.433520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.433520 (E_RNA)
where:
Base-Base interactions energy: -1011.277
where: short stacking energy: -437.043
Base-Backbone interact. energy: -1.386
local terms energy: -526.769758
where:
bonds (distance) C4'-P energy: -107.668
bonds (distance) P-C4' energy: -103.658
flat angles C4'-P-C4' energy: -113.250
flat angles P-C4'-P energy: -86.380
tors. eta vs tors. theta energy: -115.814
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: 5, replica: 6
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1501.755263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.755263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.755263 (E_RNA)
where:
Base-Base interactions energy: -1011.135
where: short stacking energy: -435.210
Base-Backbone interact. energy: 0.488
local terms energy: -491.107951
where:
bonds (distance) C4'-P energy: -108.072
bonds (distance) P-C4' energy: -92.307
flat angles C4'-P-C4' energy: -110.841
flat angles P-C4'-P energy: -63.773
tors. eta vs tors. theta energy: -116.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1418.668810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.668810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.668810 (E_RNA)
where:
Base-Base interactions energy: -949.907
where: short stacking energy: -391.604
Base-Backbone interact. energy: 1.236
local terms energy: -469.998206
where:
bonds (distance) C4'-P energy: -88.463
bonds (distance) P-C4' energy: -100.234
flat angles C4'-P-C4' energy: -93.652
flat angles P-C4'-P energy: -64.764
tors. eta vs tors. theta energy: -122.885
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: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1227.016377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.016377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.016377 (E_RNA)
where:
Base-Base interactions energy: -819.242
where: short stacking energy: -342.033
Base-Backbone interact. energy: 2.802
local terms energy: -410.576201
where:
bonds (distance) C4'-P energy: -92.942
bonds (distance) P-C4' energy: -94.743
flat angles C4'-P-C4' energy: -92.280
flat angles P-C4'-P energy: -52.869
tors. eta vs tors. theta energy: -77.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1122.304231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.304231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.304231 (E_RNA)
where:
Base-Base interactions energy: -745.379
where: short stacking energy: -327.666
Base-Backbone interact. energy: 0.530
local terms energy: -377.454437
where:
bonds (distance) C4'-P energy: -70.141
bonds (distance) P-C4' energy: -97.204
flat angles C4'-P-C4' energy: -85.884
flat angles P-C4'-P energy: -53.030
tors. eta vs tors. theta energy: -71.196
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: 3
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -858.317294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.317294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.317294 (E_RNA)
where:
Base-Base interactions energy: -506.099
where: short stacking energy: -236.674
Base-Backbone interact. energy: 1.934
local terms energy: -354.152071
where:
bonds (distance) C4'-P energy: -84.095
bonds (distance) P-C4' energy: -76.233
flat angles C4'-P-C4' energy: -103.111
flat angles P-C4'-P energy: -63.122
tors. eta vs tors. theta energy: -27.590
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: 162
Temperature: 1.350000
Total energy: -557.969390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.969390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.969390 (E_RNA)
where:
Base-Base interactions energy: -274.133
where: short stacking energy: -184.208
Base-Backbone interact. energy: 1.918
local terms energy: -285.754140
where:
bonds (distance) C4'-P energy: -62.972
bonds (distance) P-C4' energy: -82.523
flat angles C4'-P-C4' energy: -87.384
flat angles P-C4'-P energy: -49.669
tors. eta vs tors. theta energy: -3.206
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: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1819.869763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.869763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.869763 (E_RNA)
where:
Base-Base interactions energy: -1248.332
where: short stacking energy: -530.954
Base-Backbone interact. energy: -2.961
local terms energy: -568.576967
where:
bonds (distance) C4'-P energy: -106.571
bonds (distance) P-C4' energy: -115.407
flat angles C4'-P-C4' energy: -122.551
flat angles P-C4'-P energy: -79.689
tors. eta vs tors. theta energy: -144.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1742.751866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.751866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.751866 (E_RNA)
where:
Base-Base interactions energy: -1199.569
where: short stacking energy: -527.714
Base-Backbone interact. energy: -3.035
local terms energy: -540.148196
where:
bonds (distance) C4'-P energy: -109.811
bonds (distance) P-C4' energy: -85.663
flat angles C4'-P-C4' energy: -118.611
flat angles P-C4'-P energy: -83.402
tors. eta vs tors. theta energy: -142.661
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: 163
Temperature: 1.000000
Total energy: -1712.779052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.779052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.779052 (E_RNA)
where:
Base-Base interactions energy: -1156.647
where: short stacking energy: -506.393
Base-Backbone interact. energy: -0.495
local terms energy: -555.637218
where:
bonds (distance) C4'-P energy: -102.420
bonds (distance) P-C4' energy: -111.596
flat angles C4'-P-C4' energy: -114.098
flat angles P-C4'-P energy: -84.598
tors. eta vs tors. theta energy: -142.924
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: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1520.936403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.936403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.936403 (E_RNA)
where:
Base-Base interactions energy: -1023.793
where: short stacking energy: -437.408
Base-Backbone interact. energy: -3.018
local terms energy: -494.125151
where:
bonds (distance) C4'-P energy: -90.861
bonds (distance) P-C4' energy: -114.866
flat angles C4'-P-C4' energy: -108.971
flat angles P-C4'-P energy: -71.656
tors. eta vs tors. theta energy: -107.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1445.447067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.447067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.447067 (E_RNA)
where:
Base-Base interactions energy: -961.789
where: short stacking energy: -419.740
Base-Backbone interact. energy: -1.820
local terms energy: -481.838244
where:
bonds (distance) C4'-P energy: -85.580
bonds (distance) P-C4' energy: -94.643
flat angles C4'-P-C4' energy: -109.513
flat angles P-C4'-P energy: -77.729
tors. eta vs tors. theta energy: -114.373
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: 5
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1424.708904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.708904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.708904 (E_RNA)
where:
Base-Base interactions energy: -964.085
where: short stacking energy: -408.597
Base-Backbone interact. energy: -3.654
local terms energy: -456.970168
where:
bonds (distance) C4'-P energy: -80.116
bonds (distance) P-C4' energy: -102.484
flat angles C4'-P-C4' energy: -101.210
flat angles P-C4'-P energy: -59.059
tors. eta vs tors. theta energy: -114.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1168.836334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.836334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.836334 (E_RNA)
where:
Base-Base interactions energy: -750.283
where: short stacking energy: -333.021
Base-Backbone interact. energy: 3.331
local terms energy: -421.884570
where:
bonds (distance) C4'-P energy: -91.366
bonds (distance) P-C4' energy: -102.108
flat angles C4'-P-C4' energy: -96.424
flat angles P-C4'-P energy: -69.659
tors. eta vs tors. theta energy: -62.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1158.682378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.682378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.682378 (E_RNA)
where:
Base-Base interactions energy: -747.202
where: short stacking energy: -347.747
Base-Backbone interact. energy: -2.689
local terms energy: -408.792030
where:
bonds (distance) C4'-P energy: -81.964
bonds (distance) P-C4' energy: -88.765
flat angles C4'-P-C4' energy: -84.099
flat angles P-C4'-P energy: -67.182
tors. eta vs tors. theta energy: -86.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -822.147949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.147949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.147949 (E_RNA)
where:
Base-Base interactions energy: -471.254
where: short stacking energy: -224.688
Base-Backbone interact. energy: -1.135
local terms energy: -349.759380
where:
bonds (distance) C4'-P energy: -96.570
bonds (distance) P-C4' energy: -88.033
flat angles C4'-P-C4' energy: -84.497
flat angles P-C4'-P energy: -51.224
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: 163
Temperature: 1.350000
Total energy: -556.941097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.941097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.941097 (E_RNA)
where:
Base-Base interactions energy: -249.260
where: short stacking energy: -157.230
Base-Backbone interact. energy: 0.578
local terms energy: -308.258951
where:
bonds (distance) C4'-P energy: -94.769
bonds (distance) P-C4' energy: -96.542
flat angles C4'-P-C4' energy: -75.264
flat angles P-C4'-P energy: -40.775
tors. eta vs tors. theta energy: -0.909
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: 164
Temperature: 0.900000
Total energy: -1820.338361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.338361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.338361 (E_RNA)
where:
Base-Base interactions energy: -1240.558
where: short stacking energy: -568.864
Base-Backbone interact. energy: -1.685
local terms energy: -578.095691
where:
bonds (distance) C4'-P energy: -103.884
bonds (distance) P-C4' energy: -107.974
flat angles C4'-P-C4' energy: -126.461
flat angles P-C4'-P energy: -73.237
tors. eta vs tors. theta energy: -166.541
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: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1809.609263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.609263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.609263 (E_RNA)
where:
Base-Base interactions energy: -1229.372
where: short stacking energy: -520.256
Base-Backbone interact. energy: 1.010
local terms energy: -581.247009
where:
bonds (distance) C4'-P energy: -102.992
bonds (distance) P-C4' energy: -104.964
flat angles C4'-P-C4' energy: -130.224
flat angles P-C4'-P energy: -89.204
tors. eta vs tors. theta energy: -153.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1754.064484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.064484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.064484 (E_RNA)
where:
Base-Base interactions energy: -1218.099
where: short stacking energy: -522.723
Base-Backbone interact. energy: 3.111
local terms energy: -539.076462
where:
bonds (distance) C4'-P energy: -94.374
bonds (distance) P-C4' energy: -109.792
flat angles C4'-P-C4' energy: -113.459
flat angles P-C4'-P energy: -79.181
tors. eta vs tors. theta energy: -142.270
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: 7
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1550.781877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.781877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.781877 (E_RNA)
where:
Base-Base interactions energy: -1021.710
where: short stacking energy: -453.115
Base-Backbone interact. energy: -0.697
local terms energy: -528.375635
where:
bonds (distance) C4'-P energy: -102.787
bonds (distance) P-C4' energy: -102.929
flat angles C4'-P-C4' energy: -119.137
flat angles P-C4'-P energy: -72.157
tors. eta vs tors. theta energy: -131.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1469.967807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.967807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.967807 (E_RNA)
where:
Base-Base interactions energy: -982.746
where: short stacking energy: -404.427
Base-Backbone interact. energy: -2.258
local terms energy: -484.963756
where:
bonds (distance) C4'-P energy: -104.255
bonds (distance) P-C4' energy: -99.633
flat angles C4'-P-C4' energy: -97.609
flat angles P-C4'-P energy: -58.096
tors. eta vs tors. theta energy: -125.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1399.187600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.187600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.187600 (E_RNA)
where:
Base-Base interactions energy: -964.270
where: short stacking energy: -404.393
Base-Backbone interact. energy: -2.070
local terms energy: -432.847607
where:
bonds (distance) C4'-P energy: -76.533
bonds (distance) P-C4' energy: -84.180
flat angles C4'-P-C4' energy: -98.330
flat angles P-C4'-P energy: -77.579
tors. eta vs tors. theta energy: -96.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1178.157822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.157822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.157822 (E_RNA)
where:
Base-Base interactions energy: -785.607
where: short stacking energy: -331.539
Base-Backbone interact. energy: 1.817
local terms energy: -394.367033
where:
bonds (distance) C4'-P energy: -81.827
bonds (distance) P-C4' energy: -81.688
flat angles C4'-P-C4' energy: -94.730
flat angles P-C4'-P energy: -66.372
tors. eta vs tors. theta energy: -69.750
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: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1129.749360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.749360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.749360 (E_RNA)
where:
Base-Base interactions energy: -726.476
where: short stacking energy: -316.225
Base-Backbone interact. energy: -1.672
local terms energy: -401.600526
where:
bonds (distance) C4'-P energy: -99.014
bonds (distance) P-C4' energy: -89.410
flat angles C4'-P-C4' energy: -96.048
flat angles P-C4'-P energy: -56.054
tors. eta vs tors. theta energy: -61.074
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: 3
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -864.788669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.788669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.788669 (E_RNA)
where:
Base-Base interactions energy: -526.021
where: short stacking energy: -248.125
Base-Backbone interact. energy: 1.953
local terms energy: -340.720714
where:
bonds (distance) C4'-P energy: -74.326
bonds (distance) P-C4' energy: -96.031
flat angles C4'-P-C4' energy: -89.453
flat angles P-C4'-P energy: -50.357
tors. eta vs tors. theta energy: -30.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -545.581819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.581819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.581819 (E_RNA)
where:
Base-Base interactions energy: -246.792
where: short stacking energy: -163.747
Base-Backbone interact. energy: -0.733
local terms energy: -298.057300
where:
bonds (distance) C4'-P energy: -83.298
bonds (distance) P-C4' energy: -89.831
flat angles C4'-P-C4' energy: -76.123
flat angles P-C4'-P energy: -51.790
tors. eta vs tors. theta energy: 2.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1813.368031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.368031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.368031 (E_RNA)
where:
Base-Base interactions energy: -1224.598
where: short stacking energy: -535.807
Base-Backbone interact. energy: 1.913
local terms energy: -590.683855
where:
bonds (distance) C4'-P energy: -113.679
bonds (distance) P-C4' energy: -104.948
flat angles C4'-P-C4' energy: -125.111
flat angles P-C4'-P energy: -92.043
tors. eta vs tors. theta energy: -154.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1776.947211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.947211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.947211 (E_RNA)
where:
Base-Base interactions energy: -1189.322
where: short stacking energy: -499.658
Base-Backbone interact. energy: -1.065
local terms energy: -586.560215
where:
bonds (distance) C4'-P energy: -106.917
bonds (distance) P-C4' energy: -117.150
flat angles C4'-P-C4' energy: -124.076
flat angles P-C4'-P energy: -86.918
tors. eta vs tors. theta energy: -151.501
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: 4
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1787.623235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.623235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.623235 (E_RNA)
where:
Base-Base interactions energy: -1227.217
where: short stacking energy: -529.842
Base-Backbone interact. energy: 0.349
local terms energy: -560.755184
where:
bonds (distance) C4'-P energy: -97.901
bonds (distance) P-C4' energy: -100.986
flat angles C4'-P-C4' energy: -131.755
flat angles P-C4'-P energy: -76.220
tors. eta vs tors. theta energy: -153.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1560.332120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.332120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.332120 (E_RNA)
where:
Base-Base interactions energy: -1043.218
where: short stacking energy: -449.547
Base-Backbone interact. energy: -2.723
local terms energy: -514.390888
where:
bonds (distance) C4'-P energy: -105.565
bonds (distance) P-C4' energy: -116.903
flat angles C4'-P-C4' energy: -110.445
flat angles P-C4'-P energy: -64.609
tors. eta vs tors. theta energy: -116.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1511.961545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.961545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.961545 (E_RNA)
where:
Base-Base interactions energy: -1016.371
where: short stacking energy: -443.581
Base-Backbone interact. energy: -3.293
local terms energy: -492.297535
where:
bonds (distance) C4'-P energy: -101.349
bonds (distance) P-C4' energy: -103.250
flat angles C4'-P-C4' energy: -120.656
flat angles P-C4'-P energy: -57.214
tors. eta vs tors. theta energy: -109.829
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: 6, replica: 6
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1407.692622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.692622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.692622 (E_RNA)
where:
Base-Base interactions energy: -920.273
where: short stacking energy: -402.625
Base-Backbone interact. energy: 2.242
local terms energy: -489.661612
where:
bonds (distance) C4'-P energy: -86.429
bonds (distance) P-C4' energy: -106.217
flat angles C4'-P-C4' energy: -112.260
flat angles P-C4'-P energy: -78.761
tors. eta vs tors. theta energy: -105.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1247.821906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.821906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.821906 (E_RNA)
where:
Base-Base interactions energy: -836.797
where: short stacking energy: -359.749
Base-Backbone interact. energy: -0.572
local terms energy: -410.453362
where:
bonds (distance) C4'-P energy: -93.472
bonds (distance) P-C4' energy: -94.048
flat angles C4'-P-C4' energy: -84.491
flat angles P-C4'-P energy: -46.699
tors. eta vs tors. theta energy: -91.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1084.443745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.443745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.443745 (E_RNA)
where:
Base-Base interactions energy: -699.212
where: short stacking energy: -295.901
Base-Backbone interact. energy: -0.553
local terms energy: -384.678617
where:
bonds (distance) C4'-P energy: -99.259
bonds (distance) P-C4' energy: -98.600
flat angles C4'-P-C4' energy: -85.438
flat angles P-C4'-P energy: -47.041
tors. eta vs tors. theta energy: -54.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -869.690134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.690134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.690134 (E_RNA)
where:
Base-Base interactions energy: -524.633
where: short stacking energy: -246.407
Base-Backbone interact. energy: 4.762
local terms energy: -349.819177
where:
bonds (distance) C4'-P energy: -60.094
bonds (distance) P-C4' energy: -108.503
flat angles C4'-P-C4' energy: -86.303
flat angles P-C4'-P energy: -48.520
tors. eta vs tors. theta energy: -46.398
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: 165
Temperature: 1.350000
Total energy: -525.254625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.254625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.254625 (E_RNA)
where:
Base-Base interactions energy: -225.425
where: short stacking energy: -156.616
Base-Backbone interact. energy: -2.130
local terms energy: -297.698922
where:
bonds (distance) C4'-P energy: -82.466
bonds (distance) P-C4' energy: -98.997
flat angles C4'-P-C4' energy: -65.197
flat angles P-C4'-P energy: -54.652
tors. eta vs tors. theta energy: 3.613
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: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1808.251220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.251220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.251220 (E_RNA)
where:
Base-Base interactions energy: -1238.836
where: short stacking energy: -536.649
Base-Backbone interact. energy: -2.111
local terms energy: -567.303732
where:
bonds (distance) C4'-P energy: -95.710
bonds (distance) P-C4' energy: -115.872
flat angles C4'-P-C4' energy: -119.836
flat angles P-C4'-P energy: -85.372
tors. eta vs tors. theta energy: -150.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1754.133579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.133579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.133579 (E_RNA)
where:
Base-Base interactions energy: -1181.266
where: short stacking energy: -538.511
Base-Backbone interact. energy: -1.321
local terms energy: -571.545767
where:
bonds (distance) C4'-P energy: -95.454
bonds (distance) P-C4' energy: -116.258
flat angles C4'-P-C4' energy: -120.189
flat angles P-C4'-P energy: -79.553
tors. eta vs tors. theta energy: -160.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1748.400363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.400363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.400363 (E_RNA)
where:
Base-Base interactions energy: -1195.088
where: short stacking energy: -492.324
Base-Backbone interact. energy: -0.001
local terms energy: -553.311193
where:
bonds (distance) C4'-P energy: -113.127
bonds (distance) P-C4' energy: -98.042
flat angles C4'-P-C4' energy: -122.120
flat angles P-C4'-P energy: -77.078
tors. eta vs tors. theta energy: -142.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1579.785845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.785845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.785845 (E_RNA)
where:
Base-Base interactions energy: -1076.164
where: short stacking energy: -456.856
Base-Backbone interact. energy: -3.852
local terms energy: -499.769231
where:
bonds (distance) C4'-P energy: -95.230
bonds (distance) P-C4' energy: -97.418
flat angles C4'-P-C4' energy: -116.307
flat angles P-C4'-P energy: -66.243
tors. eta vs tors. theta energy: -124.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1522.029372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.029372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.029372 (E_RNA)
where:
Base-Base interactions energy: -1043.853
where: short stacking energy: -439.874
Base-Backbone interact. energy: 0.740
local terms energy: -478.915875
where:
bonds (distance) C4'-P energy: -92.091
bonds (distance) P-C4' energy: -106.035
flat angles C4'-P-C4' energy: -103.556
flat angles P-C4'-P energy: -68.491
tors. eta vs tors. theta energy: -108.744
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: 6
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1326.131776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.131776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.131776 (E_RNA)
where:
Base-Base interactions energy: -899.668
where: short stacking energy: -389.950
Base-Backbone interact. energy: -1.821
local terms energy: -424.642916
where:
bonds (distance) C4'-P energy: -71.733
bonds (distance) P-C4' energy: -104.822
flat angles C4'-P-C4' energy: -97.628
flat angles P-C4'-P energy: -58.675
tors. eta vs tors. theta energy: -91.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1226.686690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.686690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.686690 (E_RNA)
where:
Base-Base interactions energy: -788.641
where: short stacking energy: -358.105
Base-Backbone interact. energy: -3.249
local terms energy: -434.796628
where:
bonds (distance) C4'-P energy: -90.167
bonds (distance) P-C4' energy: -101.078
flat angles C4'-P-C4' energy: -89.660
flat angles P-C4'-P energy: -49.175
tors. eta vs tors. theta energy: -104.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1106.420536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.420536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.420536 (E_RNA)
where:
Base-Base interactions energy: -736.254
where: short stacking energy: -342.661
Base-Backbone interact. energy: -2.889
local terms energy: -367.277619
where:
bonds (distance) C4'-P energy: -73.571
bonds (distance) P-C4' energy: -86.405
flat angles C4'-P-C4' energy: -98.701
flat angles P-C4'-P energy: -42.761
tors. eta vs tors. theta energy: -65.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -892.209142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.209142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.209142 (E_RNA)
where:
Base-Base interactions energy: -555.632
where: short stacking energy: -242.820
Base-Backbone interact. energy: -1.470
local terms energy: -335.107141
where:
bonds (distance) C4'-P energy: -88.008
bonds (distance) P-C4' energy: -90.986
flat angles C4'-P-C4' energy: -75.272
flat angles P-C4'-P energy: -48.271
tors. eta vs tors. theta energy: -32.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -490.097314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.097314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.097314 (E_RNA)
where:
Base-Base interactions energy: -206.247
where: short stacking energy: -141.021
Base-Backbone interact. energy: -4.389
local terms energy: -279.461531
where:
bonds (distance) C4'-P energy: -86.582
bonds (distance) P-C4' energy: -100.804
flat angles C4'-P-C4' energy: -77.354
flat angles P-C4'-P energy: -36.906
tors. eta vs tors. theta energy: 22.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1813.398518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.398518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.398518 (E_RNA)
where:
Base-Base interactions energy: -1224.349
where: short stacking energy: -521.901
Base-Backbone interact. energy: -2.015
local terms energy: -587.034063
where:
bonds (distance) C4'-P energy: -99.463
bonds (distance) P-C4' energy: -114.908
flat angles C4'-P-C4' energy: -130.606
flat angles P-C4'-P energy: -90.969
tors. eta vs tors. theta energy: -151.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1723.324371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.324371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.324371 (E_RNA)
where:
Base-Base interactions energy: -1183.029
where: short stacking energy: -512.875
Base-Backbone interact. energy: 1.007
local terms energy: -541.301825
where:
bonds (distance) C4'-P energy: -92.325
bonds (distance) P-C4' energy: -104.654
flat angles C4'-P-C4' energy: -132.688
flat angles P-C4'-P energy: -78.692
tors. eta vs tors. theta energy: -132.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1732.127415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.127415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.127415 (E_RNA)
where:
Base-Base interactions energy: -1196.686
where: short stacking energy: -489.760
Base-Backbone interact. energy: -3.179
local terms energy: -532.261640
where:
bonds (distance) C4'-P energy: -105.520
bonds (distance) P-C4' energy: -104.075
flat angles C4'-P-C4' energy: -113.687
flat angles P-C4'-P energy: -73.312
tors. eta vs tors. theta energy: -135.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1584.086272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.086272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.086272 (E_RNA)
where:
Base-Base interactions energy: -1068.444
where: short stacking energy: -454.462
Base-Backbone interact. energy: -2.609
local terms energy: -513.033568
where:
bonds (distance) C4'-P energy: -95.903
bonds (distance) P-C4' energy: -113.805
flat angles C4'-P-C4' energy: -115.851
flat angles P-C4'-P energy: -73.064
tors. eta vs tors. theta energy: -114.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1515.148584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.148584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.148584 (E_RNA)
where:
Base-Base interactions energy: -1016.564
where: short stacking energy: -434.304
Base-Backbone interact. energy: -0.482
local terms energy: -498.102995
where:
bonds (distance) C4'-P energy: -92.228
bonds (distance) P-C4' energy: -96.288
flat angles C4'-P-C4' energy: -115.942
flat angles P-C4'-P energy: -73.922
tors. eta vs tors. theta energy: -119.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1331.875599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.875599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.875599 (E_RNA)
where:
Base-Base interactions energy: -887.357
where: short stacking energy: -387.636
Base-Backbone interact. energy: -1.257
local terms energy: -443.260842
where:
bonds (distance) C4'-P energy: -94.821
bonds (distance) P-C4' energy: -88.125
flat angles C4'-P-C4' energy: -96.869
flat angles P-C4'-P energy: -67.593
tors. eta vs tors. theta energy: -95.853
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: 9
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1199.424771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.424771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.424771 (E_RNA)
where:
Base-Base interactions energy: -779.236
where: short stacking energy: -347.517
Base-Backbone interact. energy: 1.539
local terms energy: -421.728159
where:
bonds (distance) C4'-P energy: -99.809
bonds (distance) P-C4' energy: -81.280
flat angles C4'-P-C4' energy: -117.777
flat angles P-C4'-P energy: -61.589
tors. eta vs tors. theta energy: -61.273
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: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1111.775655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.775655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.775655 (E_RNA)
where:
Base-Base interactions energy: -724.479
where: short stacking energy: -337.373
Base-Backbone interact. energy: -0.671
local terms energy: -386.625244
where:
bonds (distance) C4'-P energy: -67.068
bonds (distance) P-C4' energy: -95.190
flat angles C4'-P-C4' energy: -94.243
flat angles P-C4'-P energy: -58.067
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: 9, replica: 3
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -893.655238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.655238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.655238 (E_RNA)
where:
Base-Base interactions energy: -551.149
where: short stacking energy: -256.059
Base-Backbone interact. energy: 2.160
local terms energy: -344.665940
where:
bonds (distance) C4'-P energy: -63.213
bonds (distance) P-C4' energy: -99.027
flat angles C4'-P-C4' energy: -87.662
flat angles P-C4'-P energy: -48.641
tors. eta vs tors. theta energy: -46.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -490.689147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.689147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.689147 (E_RNA)
where:
Base-Base interactions energy: -211.356
where: short stacking energy: -151.058
Base-Backbone interact. energy: 1.585
local terms energy: -280.918076
where:
bonds (distance) C4'-P energy: -80.609
bonds (distance) P-C4' energy: -86.554
flat angles C4'-P-C4' energy: -87.647
flat angles P-C4'-P energy: -36.236
tors. eta vs tors. theta energy: 10.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1800.080999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.080999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.080999 (E_RNA)
where:
Base-Base interactions energy: -1227.481
where: short stacking energy: -521.099
Base-Backbone interact. energy: -2.123
local terms energy: -570.476501
where:
bonds (distance) C4'-P energy: -100.657
bonds (distance) P-C4' energy: -119.381
flat angles C4'-P-C4' energy: -123.889
flat angles P-C4'-P energy: -83.952
tors. eta vs tors. theta energy: -142.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1761.314255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.314255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.314255 (E_RNA)
where:
Base-Base interactions energy: -1194.010
where: short stacking energy: -516.875
Base-Backbone interact. energy: -1.510
local terms energy: -565.793920
where:
bonds (distance) C4'-P energy: -92.850
bonds (distance) P-C4' energy: -107.566
flat angles C4'-P-C4' energy: -123.314
flat angles P-C4'-P energy: -94.220
tors. eta vs tors. theta energy: -147.844
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: 4
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1741.290881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.290881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.290881 (E_RNA)
where:
Base-Base interactions energy: -1206.875
where: short stacking energy: -498.869
Base-Backbone interact. energy: 3.696
local terms energy: -538.111804
where:
bonds (distance) C4'-P energy: -100.179
bonds (distance) P-C4' energy: -111.834
flat angles C4'-P-C4' energy: -116.110
flat angles P-C4'-P energy: -71.677
tors. eta vs tors. theta energy: -138.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1559.766234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.766234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.766234 (E_RNA)
where:
Base-Base interactions energy: -1049.587
where: short stacking energy: -449.703
Base-Backbone interact. energy: -4.815
local terms energy: -505.364835
where:
bonds (distance) C4'-P energy: -104.948
bonds (distance) P-C4' energy: -111.137
flat angles C4'-P-C4' energy: -108.591
flat angles P-C4'-P energy: -63.081
tors. eta vs tors. theta energy: -117.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1554.578817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.578817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.578817 (E_RNA)
where:
Base-Base interactions energy: -1073.963
where: short stacking energy: -471.377
Base-Backbone interact. energy: 0.758
local terms energy: -481.374321
where:
bonds (distance) C4'-P energy: -97.705
bonds (distance) P-C4' energy: -100.604
flat angles C4'-P-C4' energy: -104.690
flat angles P-C4'-P energy: -57.916
tors. eta vs tors. theta energy: -120.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1376.614509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.614509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.614509 (E_RNA)
where:
Base-Base interactions energy: -934.401
where: short stacking energy: -418.101
Base-Backbone interact. energy: 0.484
local terms energy: -442.697714
where:
bonds (distance) C4'-P energy: -95.086
bonds (distance) P-C4' energy: -100.223
flat angles C4'-P-C4' energy: -90.005
flat angles P-C4'-P energy: -65.017
tors. eta vs tors. theta energy: -92.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1141.603683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.603683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.603683 (E_RNA)
where:
Base-Base interactions energy: -737.898
where: short stacking energy: -325.837
Base-Backbone interact. energy: -2.763
local terms energy: -400.942349
where:
bonds (distance) C4'-P energy: -87.258
bonds (distance) P-C4' energy: -89.606
flat angles C4'-P-C4' energy: -85.905
flat angles P-C4'-P energy: -58.178
tors. eta vs tors. theta energy: -79.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1140.737432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.737432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.737432 (E_RNA)
where:
Base-Base interactions energy: -750.597
where: short stacking energy: -315.939
Base-Backbone interact. energy: -2.968
local terms energy: -387.171966
where:
bonds (distance) C4'-P energy: -85.843
bonds (distance) P-C4' energy: -94.620
flat angles C4'-P-C4' energy: -88.514
flat angles P-C4'-P energy: -62.057
tors. eta vs tors. theta energy: -56.138
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: 3
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -966.517938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.517938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.517938 (E_RNA)
where:
Base-Base interactions energy: -596.612
where: short stacking energy: -273.543
Base-Backbone interact. energy: -1.189
local terms energy: -368.717049
where:
bonds (distance) C4'-P energy: -84.466
bonds (distance) P-C4' energy: -87.872
flat angles C4'-P-C4' energy: -79.693
flat angles P-C4'-P energy: -71.801
tors. eta vs tors. theta energy: -44.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -502.311965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.311965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.311965 (E_RNA)
where:
Base-Base interactions energy: -206.273
where: short stacking energy: -132.770
Base-Backbone interact. energy: -2.575
local terms energy: -293.464443
where:
bonds (distance) C4'-P energy: -94.432
bonds (distance) P-C4' energy: -87.315
flat angles C4'-P-C4' energy: -82.045
flat angles P-C4'-P energy: -37.390
tors. eta vs tors. theta energy: 7.717
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: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1783.708755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.708755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.708755 (E_RNA)
where:
Base-Base interactions energy: -1224.555
where: short stacking energy: -522.587
Base-Backbone interact. energy: -1.758
local terms energy: -557.395922
where:
bonds (distance) C4'-P energy: -100.464
bonds (distance) P-C4' energy: -104.574
flat angles C4'-P-C4' energy: -124.625
flat angles P-C4'-P energy: -83.436
tors. eta vs tors. theta energy: -144.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1753.926316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.926316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.926316 (E_RNA)
where:
Base-Base interactions energy: -1196.122
where: short stacking energy: -502.854
Base-Backbone interact. energy: -0.178
local terms energy: -557.626558
where:
bonds (distance) C4'-P energy: -107.024
bonds (distance) P-C4' energy: -108.319
flat angles C4'-P-C4' energy: -119.232
flat angles P-C4'-P energy: -80.216
tors. eta vs tors. theta energy: -142.836
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: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1728.199834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.199834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.199834 (E_RNA)
where:
Base-Base interactions energy: -1187.799
where: short stacking energy: -511.011
Base-Backbone interact. energy: -4.050
local terms energy: -536.351442
where:
bonds (distance) C4'-P energy: -100.311
bonds (distance) P-C4' energy: -101.285
flat angles C4'-P-C4' energy: -123.322
flat angles P-C4'-P energy: -71.127
tors. eta vs tors. theta energy: -140.306
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: 4, replica: 7
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1551.066761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.066761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.066761 (E_RNA)
where:
Base-Base interactions energy: -1031.556
where: short stacking energy: -411.014
Base-Backbone interact. energy: -4.227
local terms energy: -515.284124
where:
bonds (distance) C4'-P energy: -111.957
bonds (distance) P-C4' energy: -93.893
flat angles C4'-P-C4' energy: -118.485
flat angles P-C4'-P energy: -87.287
tors. eta vs tors. theta energy: -103.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1529.675024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.675024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.675024 (E_RNA)
where:
Base-Base interactions energy: -1054.798
where: short stacking energy: -462.473
Base-Backbone interact. energy: -2.473
local terms energy: -472.403787
where:
bonds (distance) C4'-P energy: -90.001
bonds (distance) P-C4' energy: -87.183
flat angles C4'-P-C4' energy: -96.255
flat angles P-C4'-P energy: -72.869
tors. eta vs tors. theta energy: -126.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1410.436057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.436057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.436057 (E_RNA)
where:
Base-Base interactions energy: -937.179
where: short stacking energy: -402.839
Base-Backbone interact. energy: -3.560
local terms energy: -469.696792
where:
bonds (distance) C4'-P energy: -104.931
bonds (distance) P-C4' energy: -112.103
flat angles C4'-P-C4' energy: -93.803
flat angles P-C4'-P energy: -52.282
tors. eta vs tors. theta energy: -106.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1142.562005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.562005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.562005 (E_RNA)
where:
Base-Base interactions energy: -724.410
where: short stacking energy: -310.807
Base-Backbone interact. energy: -1.633
local terms energy: -416.519112
where:
bonds (distance) C4'-P energy: -86.220
bonds (distance) P-C4' energy: -94.988
flat angles C4'-P-C4' energy: -101.547
flat angles P-C4'-P energy: -70.542
tors. eta vs tors. theta energy: -63.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1160.185957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.185957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.185957 (E_RNA)
where:
Base-Base interactions energy: -740.141
where: short stacking energy: -326.595
Base-Backbone interact. energy: -1.857
local terms energy: -418.188153
where:
bonds (distance) C4'-P energy: -94.533
bonds (distance) P-C4' energy: -92.400
flat angles C4'-P-C4' energy: -98.180
flat angles P-C4'-P energy: -52.233
tors. eta vs tors. theta energy: -80.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -911.945752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.945752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.945752 (E_RNA)
where:
Base-Base interactions energy: -557.663
where: short stacking energy: -277.805
Base-Backbone interact. energy: -0.132
local terms energy: -354.150568
where:
bonds (distance) C4'-P energy: -89.275
bonds (distance) P-C4' energy: -87.817
flat angles C4'-P-C4' energy: -70.412
flat angles P-C4'-P energy: -53.468
tors. eta vs tors. theta energy: -53.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -522.548504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.548504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.548504 (E_RNA)
where:
Base-Base interactions energy: -244.859
where: short stacking energy: -144.506
Base-Backbone interact. energy: 4.738
local terms energy: -282.428022
where:
bonds (distance) C4'-P energy: -100.201
bonds (distance) P-C4' energy: -89.622
flat angles C4'-P-C4' energy: -68.007
flat angles P-C4'-P energy: -44.210
tors. eta vs tors. theta energy: 19.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1766.425554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.425554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.425554 (E_RNA)
where:
Base-Base interactions energy: -1187.526
where: short stacking energy: -521.777
Base-Backbone interact. energy: -2.204
local terms energy: -576.695752
where:
bonds (distance) C4'-P energy: -115.055
bonds (distance) P-C4' energy: -108.401
flat angles C4'-P-C4' energy: -121.796
flat angles P-C4'-P energy: -80.045
tors. eta vs tors. theta energy: -151.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1742.932490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.932490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.932490 (E_RNA)
where:
Base-Base interactions energy: -1174.798
where: short stacking energy: -527.192
Base-Backbone interact. energy: 0.098
local terms energy: -568.231860
where:
bonds (distance) C4'-P energy: -110.681
bonds (distance) P-C4' energy: -106.269
flat angles C4'-P-C4' energy: -117.278
flat angles P-C4'-P energy: -91.374
tors. eta vs tors. theta energy: -142.631
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: 4
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1764.444318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.444318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.444318 (E_RNA)
where:
Base-Base interactions energy: -1247.633
where: short stacking energy: -539.597
Base-Backbone interact. energy: 10.411
local terms energy: -527.223079
where:
bonds (distance) C4'-P energy: -98.115
bonds (distance) P-C4' energy: -103.091
flat angles C4'-P-C4' energy: -104.786
flat angles P-C4'-P energy: -67.385
tors. eta vs tors. theta energy: -153.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1565.654607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.654607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.654607 (E_RNA)
where:
Base-Base interactions energy: -1063.688
where: short stacking energy: -439.111
Base-Backbone interact. energy: 0.828
local terms energy: -502.794407
where:
bonds (distance) C4'-P energy: -113.760
bonds (distance) P-C4' energy: -99.320
flat angles C4'-P-C4' energy: -105.412
flat angles P-C4'-P energy: -63.864
tors. eta vs tors. theta energy: -120.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1503.205542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.205542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.205542 (E_RNA)
where:
Base-Base interactions energy: -1005.941
where: short stacking energy: -435.714
Base-Backbone interact. energy: 2.296
local terms energy: -499.560154
where:
bonds (distance) C4'-P energy: -97.344
bonds (distance) P-C4' energy: -94.599
flat angles C4'-P-C4' energy: -115.442
flat angles P-C4'-P energy: -80.887
tors. eta vs tors. theta energy: -111.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1399.005156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.005156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.005156 (E_RNA)
where:
Base-Base interactions energy: -926.907
where: short stacking energy: -393.511
Base-Backbone interact. energy: -1.289
local terms energy: -470.809722
where:
bonds (distance) C4'-P energy: -99.021
bonds (distance) P-C4' energy: -94.892
flat angles C4'-P-C4' energy: -105.051
flat angles P-C4'-P energy: -72.901
tors. eta vs tors. theta energy: -98.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1194.329342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.329342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.329342 (E_RNA)
where:
Base-Base interactions energy: -778.653
where: short stacking energy: -316.038
Base-Backbone interact. energy: -1.031
local terms energy: -414.644846
where:
bonds (distance) C4'-P energy: -88.732
bonds (distance) P-C4' energy: -102.127
flat angles C4'-P-C4' energy: -101.762
flat angles P-C4'-P energy: -53.639
tors. eta vs tors. theta energy: -68.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1159.744800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.744800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.744800 (E_RNA)
where:
Base-Base interactions energy: -755.334
where: short stacking energy: -327.383
Base-Backbone interact. energy: -1.223
local terms energy: -403.188359
where:
bonds (distance) C4'-P energy: -94.802
bonds (distance) P-C4' energy: -89.740
flat angles C4'-P-C4' energy: -93.120
flat angles P-C4'-P energy: -63.283
tors. eta vs tors. theta energy: -62.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -944.420352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.420352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.420352 (E_RNA)
where:
Base-Base interactions energy: -567.971
where: short stacking energy: -269.364
Base-Backbone interact. energy: -1.086
local terms energy: -375.363543
where:
bonds (distance) C4'-P energy: -104.357
bonds (distance) P-C4' energy: -104.781
flat angles C4'-P-C4' energy: -88.147
flat angles P-C4'-P energy: -36.198
tors. eta vs tors. theta energy: -41.882
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: 170
Temperature: 1.350000
Total energy: -554.832057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.832057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.832057 (E_RNA)
where:
Base-Base interactions energy: -265.382
where: short stacking energy: -153.128
Base-Backbone interact. energy: -1.613
local terms energy: -287.836106
where:
bonds (distance) C4'-P energy: -90.012
bonds (distance) P-C4' energy: -82.817
flat angles C4'-P-C4' energy: -87.120
flat angles P-C4'-P energy: -48.847
tors. eta vs tors. theta energy: 20.960
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: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1804.498568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.498568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.498568 (E_RNA)
where:
Base-Base interactions energy: -1240.782
where: short stacking energy: -531.494
Base-Backbone interact. energy: -1.609
local terms energy: -562.107512
where:
bonds (distance) C4'-P energy: -108.042
bonds (distance) P-C4' energy: -90.280
flat angles C4'-P-C4' energy: -126.555
flat angles P-C4'-P energy: -88.183
tors. eta vs tors. theta energy: -149.048
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: 4
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1794.409573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.409573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.409573 (E_RNA)
where:
Base-Base interactions energy: -1250.186
where: short stacking energy: -535.504
Base-Backbone interact. energy: 0.069
local terms energy: -544.292727
where:
bonds (distance) C4'-P energy: -84.796
bonds (distance) P-C4' energy: -101.358
flat angles C4'-P-C4' energy: -116.372
flat angles P-C4'-P energy: -81.396
tors. eta vs tors. theta energy: -160.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1737.610552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.610552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.610552 (E_RNA)
where:
Base-Base interactions energy: -1168.101
where: short stacking energy: -515.303
Base-Backbone interact. energy: -0.472
local terms energy: -569.037132
where:
bonds (distance) C4'-P energy: -94.493
bonds (distance) P-C4' energy: -101.599
flat angles C4'-P-C4' energy: -131.615
flat angles P-C4'-P energy: -84.373
tors. eta vs tors. theta energy: -156.957
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: 7
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1624.618454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.618454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.618454 (E_RNA)
where:
Base-Base interactions energy: -1109.064
where: short stacking energy: -478.392
Base-Backbone interact. energy: -2.170
local terms energy: -513.384263
where:
bonds (distance) C4'-P energy: -93.876
bonds (distance) P-C4' energy: -110.655
flat angles C4'-P-C4' energy: -104.388
flat angles P-C4'-P energy: -75.694
tors. eta vs tors. theta energy: -128.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1463.802071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.802071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.802071 (E_RNA)
where:
Base-Base interactions energy: -989.957
where: short stacking energy: -440.140
Base-Backbone interact. energy: -1.079
local terms energy: -472.765963
where:
bonds (distance) C4'-P energy: -92.826
bonds (distance) P-C4' energy: -89.027
flat angles C4'-P-C4' energy: -107.942
flat angles P-C4'-P energy: -69.342
tors. eta vs tors. theta energy: -113.628
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: 6
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1363.614337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.614337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.614337 (E_RNA)
where:
Base-Base interactions energy: -908.599
where: short stacking energy: -401.303
Base-Backbone interact. energy: 0.372
local terms energy: -455.387624
where:
bonds (distance) C4'-P energy: -105.815
bonds (distance) P-C4' energy: -98.293
flat angles C4'-P-C4' energy: -91.340
flat angles P-C4'-P energy: -68.864
tors. eta vs tors. theta energy: -91.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1229.820404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.820404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.820404 (E_RNA)
where:
Base-Base interactions energy: -816.610
where: short stacking energy: -366.927
Base-Backbone interact. energy: -3.218
local terms energy: -409.991710
where:
bonds (distance) C4'-P energy: -92.724
bonds (distance) P-C4' energy: -85.160
flat angles C4'-P-C4' energy: -92.976
flat angles P-C4'-P energy: -53.190
tors. eta vs tors. theta energy: -85.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1150.223204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.223204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.223204 (E_RNA)
where:
Base-Base interactions energy: -748.911
where: short stacking energy: -329.668
Base-Backbone interact. energy: 6.922
local terms energy: -408.233424
where:
bonds (distance) C4'-P energy: -89.134
bonds (distance) P-C4' energy: -86.794
flat angles C4'-P-C4' energy: -95.411
flat angles P-C4'-P energy: -66.771
tors. eta vs tors. theta energy: -70.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -886.325688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.325688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.325688 (E_RNA)
where:
Base-Base interactions energy: -526.261
where: short stacking energy: -261.707
Base-Backbone interact. energy: 0.377
local terms energy: -360.441881
where:
bonds (distance) C4'-P energy: -81.107
bonds (distance) P-C4' energy: -87.440
flat angles C4'-P-C4' energy: -92.716
flat angles P-C4'-P energy: -59.562
tors. eta vs tors. theta energy: -39.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -572.097666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.097666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.097666 (E_RNA)
where:
Base-Base interactions energy: -268.280
where: short stacking energy: -152.125
Base-Backbone interact. energy: -1.782
local terms energy: -302.036478
where:
bonds (distance) C4'-P energy: -93.501
bonds (distance) P-C4' energy: -94.034
flat angles C4'-P-C4' energy: -83.062
flat angles P-C4'-P energy: -25.621
tors. eta vs tors. theta energy: -5.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1819.404274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.404274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.404274 (E_RNA)
where:
Base-Base interactions energy: -1222.770
where: short stacking energy: -538.384
Base-Backbone interact. energy: -3.140
local terms energy: -593.493965
where:
bonds (distance) C4'-P energy: -106.233
bonds (distance) P-C4' energy: -111.384
flat angles C4'-P-C4' energy: -125.303
flat angles P-C4'-P energy: -94.402
tors. eta vs tors. theta energy: -156.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1819.192669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.192669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.192669 (E_RNA)
where:
Base-Base interactions energy: -1255.792
where: short stacking energy: -526.873
Base-Backbone interact. energy: 0.610
local terms energy: -564.010241
where:
bonds (distance) C4'-P energy: -96.762
bonds (distance) P-C4' energy: -111.394
flat angles C4'-P-C4' energy: -132.298
flat angles P-C4'-P energy: -71.713
tors. eta vs tors. theta energy: -151.844
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: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1688.967757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.967757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.967757 (E_RNA)
where:
Base-Base interactions energy: -1150.787
where: short stacking energy: -495.226
Base-Backbone interact. energy: -0.877
local terms energy: -537.303036
where:
bonds (distance) C4'-P energy: -106.920
bonds (distance) P-C4' energy: -99.282
flat angles C4'-P-C4' energy: -111.474
flat angles P-C4'-P energy: -81.890
tors. eta vs tors. theta energy: -137.738
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: 4, replica: 7
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1569.860567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.860567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.860567 (E_RNA)
where:
Base-Base interactions energy: -1067.768
where: short stacking energy: -433.379
Base-Backbone interact. energy: -1.964
local terms energy: -500.129329
where:
bonds (distance) C4'-P energy: -105.176
bonds (distance) P-C4' energy: -99.599
flat angles C4'-P-C4' energy: -100.910
flat angles P-C4'-P energy: -77.037
tors. eta vs tors. theta energy: -117.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1499.625257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.625257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.625257 (E_RNA)
where:
Base-Base interactions energy: -1009.169
where: short stacking energy: -438.480
Base-Backbone interact. energy: -0.006
local terms energy: -490.450032
where:
bonds (distance) C4'-P energy: -91.060
bonds (distance) P-C4' energy: -91.920
flat angles C4'-P-C4' energy: -109.622
flat angles P-C4'-P energy: -80.768
tors. eta vs tors. theta energy: -117.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1424.081086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.081086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.081086 (E_RNA)
where:
Base-Base interactions energy: -974.369
where: short stacking energy: -433.150
Base-Backbone interact. energy: -0.014
local terms energy: -449.698681
where:
bonds (distance) C4'-P energy: -80.586
bonds (distance) P-C4' energy: -99.157
flat angles C4'-P-C4' energy: -109.084
flat angles P-C4'-P energy: -60.329
tors. eta vs tors. theta energy: -100.543
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: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1230.829253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.829253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.829253 (E_RNA)
where:
Base-Base interactions energy: -804.523
where: short stacking energy: -373.078
Base-Backbone interact. energy: -3.776
local terms energy: -422.529479
where:
bonds (distance) C4'-P energy: -91.507
bonds (distance) P-C4' energy: -86.375
flat angles C4'-P-C4' energy: -91.464
flat angles P-C4'-P energy: -59.661
tors. eta vs tors. theta energy: -93.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1213.642198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.642198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.642198 (E_RNA)
where:
Base-Base interactions energy: -808.857
where: short stacking energy: -324.046
Base-Backbone interact. energy: 1.296
local terms energy: -406.080649
where:
bonds (distance) C4'-P energy: -75.532
bonds (distance) P-C4' energy: -97.342
flat angles C4'-P-C4' energy: -102.200
flat angles P-C4'-P energy: -53.793
tors. eta vs tors. theta energy: -77.213
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: 3
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -858.620504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.620504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.620504 (E_RNA)
where:
Base-Base interactions energy: -489.679
where: short stacking energy: -248.683
Base-Backbone interact. energy: -2.429
local terms energy: -366.512841
where:
bonds (distance) C4'-P energy: -83.405
bonds (distance) P-C4' energy: -98.711
flat angles C4'-P-C4' energy: -80.671
flat angles P-C4'-P energy: -61.157
tors. eta vs tors. theta energy: -42.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -543.323106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.323106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.323106 (E_RNA)
where:
Base-Base interactions energy: -247.740
where: short stacking energy: -143.378
Base-Backbone interact. energy: 0.571
local terms energy: -296.153688
where:
bonds (distance) C4'-P energy: -86.666
bonds (distance) P-C4' energy: -99.337
flat angles C4'-P-C4' energy: -73.059
flat angles P-C4'-P energy: -42.567
tors. eta vs tors. theta energy: 5.475
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: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1812.216742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.216742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.216742 (E_RNA)
where:
Base-Base interactions energy: -1242.918
where: short stacking energy: -537.408
Base-Backbone interact. energy: -0.454
local terms energy: -568.845028
where:
bonds (distance) C4'-P energy: -109.159
bonds (distance) P-C4' energy: -106.322
flat angles C4'-P-C4' energy: -115.440
flat angles P-C4'-P energy: -80.984
tors. eta vs tors. theta energy: -156.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1785.737379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.737379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.737379 (E_RNA)
where:
Base-Base interactions energy: -1238.102
where: short stacking energy: -533.720
Base-Backbone interact. energy: -0.483
local terms energy: -547.152353
where:
bonds (distance) C4'-P energy: -111.829
bonds (distance) P-C4' energy: -95.029
flat angles C4'-P-C4' energy: -111.477
flat angles P-C4'-P energy: -69.085
tors. eta vs tors. theta energy: -159.733
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: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1667.192429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.192429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.192429 (E_RNA)
where:
Base-Base interactions energy: -1140.818
where: short stacking energy: -491.782
Base-Backbone interact. energy: 0.941
local terms energy: -527.314862
where:
bonds (distance) C4'-P energy: -87.587
bonds (distance) P-C4' energy: -98.916
flat angles C4'-P-C4' energy: -123.210
flat angles P-C4'-P energy: -78.404
tors. eta vs tors. theta energy: -139.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1619.486266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.486266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.486266 (E_RNA)
where:
Base-Base interactions energy: -1098.553
where: short stacking energy: -455.628
Base-Backbone interact. energy: -2.331
local terms energy: -518.602398
where:
bonds (distance) C4'-P energy: -114.156
bonds (distance) P-C4' energy: -99.459
flat angles C4'-P-C4' energy: -109.501
flat angles P-C4'-P energy: -64.583
tors. eta vs tors. theta energy: -130.903
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: 173
Temperature: 1.100000
Total energy: -1477.984417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.984417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.984417 (E_RNA)
where:
Base-Base interactions energy: -1001.588
where: short stacking energy: -410.639
Base-Backbone interact. energy: -1.683
local terms energy: -474.712946
where:
bonds (distance) C4'-P energy: -93.566
bonds (distance) P-C4' energy: -91.496
flat angles C4'-P-C4' energy: -102.412
flat angles P-C4'-P energy: -73.846
tors. eta vs tors. theta energy: -113.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1393.659092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.659092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.659092 (E_RNA)
where:
Base-Base interactions energy: -943.848
where: short stacking energy: -402.837
Base-Backbone interact. energy: -2.471
local terms energy: -447.340118
where:
bonds (distance) C4'-P energy: -90.445
bonds (distance) P-C4' energy: -86.016
flat angles C4'-P-C4' energy: -100.164
flat angles P-C4'-P energy: -76.254
tors. eta vs tors. theta energy: -94.462
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: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1220.287092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.287092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.287092 (E_RNA)
where:
Base-Base interactions energy: -788.168
where: short stacking energy: -342.542
Base-Backbone interact. energy: -2.092
local terms energy: -430.027381
where:
bonds (distance) C4'-P energy: -91.842
bonds (distance) P-C4' energy: -92.792
flat angles C4'-P-C4' energy: -87.426
flat angles P-C4'-P energy: -65.264
tors. eta vs tors. theta energy: -92.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1149.632557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.632557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.632557 (E_RNA)
where:
Base-Base interactions energy: -747.454
where: short stacking energy: -335.077
Base-Backbone interact. energy: 3.442
local terms energy: -405.621404
where:
bonds (distance) C4'-P energy: -98.948
bonds (distance) P-C4' energy: -79.573
flat angles C4'-P-C4' energy: -98.774
flat angles P-C4'-P energy: -55.493
tors. eta vs tors. theta energy: -72.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -866.365118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.365118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.365118 (E_RNA)
where:
Base-Base interactions energy: -484.272
where: short stacking energy: -237.630
Base-Backbone interact. energy: -2.546
local terms energy: -379.546664
where:
bonds (distance) C4'-P energy: -90.544
bonds (distance) P-C4' energy: -102.910
flat angles C4'-P-C4' energy: -88.961
flat angles P-C4'-P energy: -55.134
tors. eta vs tors. theta energy: -41.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -593.506941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.506941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.506941 (E_RNA)
where:
Base-Base interactions energy: -315.642
where: short stacking energy: -174.923
Base-Backbone interact. energy: 3.037
local terms energy: -280.902057
where:
bonds (distance) C4'-P energy: -108.925
bonds (distance) P-C4' energy: -76.697
flat angles C4'-P-C4' energy: -61.331
flat angles P-C4'-P energy: -30.561
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1827.123766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.123766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.123766 (E_RNA)
where:
Base-Base interactions energy: -1272.025
where: short stacking energy: -510.159
Base-Backbone interact. energy: -1.276
local terms energy: -553.822454
where:
bonds (distance) C4'-P energy: -111.701
bonds (distance) P-C4' energy: -94.800
flat angles C4'-P-C4' energy: -122.208
flat angles P-C4'-P energy: -85.954
tors. eta vs tors. theta energy: -139.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1769.937756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.937756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.937756 (E_RNA)
where:
Base-Base interactions energy: -1198.045
where: short stacking energy: -499.007
Base-Backbone interact. energy: -3.049
local terms energy: -568.843739
where:
bonds (distance) C4'-P energy: -112.837
bonds (distance) P-C4' energy: -105.449
flat angles C4'-P-C4' energy: -117.539
flat angles P-C4'-P energy: -87.918
tors. eta vs tors. theta energy: -145.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1711.314385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.314385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.314385 (E_RNA)
where:
Base-Base interactions energy: -1150.879
where: short stacking energy: -517.386
Base-Backbone interact. energy: -1.561
local terms energy: -558.874191
where:
bonds (distance) C4'-P energy: -98.757
bonds (distance) P-C4' energy: -113.337
flat angles C4'-P-C4' energy: -117.376
flat angles P-C4'-P energy: -87.995
tors. eta vs tors. theta energy: -141.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1603.502341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.502341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.502341 (E_RNA)
where:
Base-Base interactions energy: -1073.403
where: short stacking energy: -459.117
Base-Backbone interact. energy: -1.987
local terms energy: -528.112264
where:
bonds (distance) C4'-P energy: -110.400
bonds (distance) P-C4' energy: -99.362
flat angles C4'-P-C4' energy: -114.129
flat angles P-C4'-P energy: -76.115
tors. eta vs tors. theta energy: -128.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1503.682737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.682737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.682737 (E_RNA)
where:
Base-Base interactions energy: -1002.548
where: short stacking energy: -439.456
Base-Backbone interact. energy: -1.172
local terms energy: -499.963088
where:
bonds (distance) C4'-P energy: -90.872
bonds (distance) P-C4' energy: -105.240
flat angles C4'-P-C4' energy: -100.905
flat angles P-C4'-P energy: -78.569
tors. eta vs tors. theta energy: -124.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1350.577012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.577012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.577012 (E_RNA)
where:
Base-Base interactions energy: -877.645
where: short stacking energy: -366.488
Base-Backbone interact. energy: -1.985
local terms energy: -470.947516
where:
bonds (distance) C4'-P energy: -94.292
bonds (distance) P-C4' energy: -110.579
flat angles C4'-P-C4' energy: -111.516
flat angles P-C4'-P energy: -62.449
tors. eta vs tors. theta energy: -92.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1211.860964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.860964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.860964 (E_RNA)
where:
Base-Base interactions energy: -769.342
where: short stacking energy: -341.948
Base-Backbone interact. energy: -1.097
local terms energy: -441.421904
where:
bonds (distance) C4'-P energy: -109.160
bonds (distance) P-C4' energy: -93.128
flat angles C4'-P-C4' energy: -104.475
flat angles P-C4'-P energy: -60.805
tors. eta vs tors. theta energy: -73.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1121.833023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.833023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.833023 (E_RNA)
where:
Base-Base interactions energy: -740.089
where: short stacking energy: -314.086
Base-Backbone interact. energy: -3.522
local terms energy: -378.222059
where:
bonds (distance) C4'-P energy: -93.548
bonds (distance) P-C4' energy: -77.857
flat angles C4'-P-C4' energy: -93.279
flat angles P-C4'-P energy: -55.800
tors. eta vs tors. theta energy: -57.738
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: 9, replica: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -864.162042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.162042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.162042 (E_RNA)
where:
Base-Base interactions energy: -526.429
where: short stacking energy: -282.176
Base-Backbone interact. energy: -0.657
local terms energy: -337.076705
where:
bonds (distance) C4'-P energy: -76.271
bonds (distance) P-C4' energy: -89.258
flat angles C4'-P-C4' energy: -80.093
flat angles P-C4'-P energy: -53.211
tors. eta vs tors. theta energy: -38.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -625.132176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.132176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.132176 (E_RNA)
where:
Base-Base interactions energy: -329.773
where: short stacking energy: -164.128
Base-Backbone interact. energy: 5.212
local terms energy: -300.571014
where:
bonds (distance) C4'-P energy: -88.691
bonds (distance) P-C4' energy: -103.112
flat angles C4'-P-C4' energy: -55.969
flat angles P-C4'-P energy: -53.340
tors. eta vs tors. theta energy: 0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1839.683291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.683291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.683291 (E_RNA)
where:
Base-Base interactions energy: -1287.771
where: short stacking energy: -558.716
Base-Backbone interact. energy: -3.920
local terms energy: -547.992225
where:
bonds (distance) C4'-P energy: -95.479
bonds (distance) P-C4' energy: -99.805
flat angles C4'-P-C4' energy: -127.214
flat angles P-C4'-P energy: -75.877
tors. eta vs tors. theta energy: -149.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1767.230009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.230009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.230009 (E_RNA)
where:
Base-Base interactions energy: -1231.087
where: short stacking energy: -515.116
Base-Backbone interact. energy: 0.377
local terms energy: -536.520468
where:
bonds (distance) C4'-P energy: -93.383
bonds (distance) P-C4' energy: -106.812
flat angles C4'-P-C4' energy: -120.485
flat angles P-C4'-P energy: -70.206
tors. eta vs tors. theta energy: -145.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1682.138626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.138626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.138626 (E_RNA)
where:
Base-Base interactions energy: -1130.355
where: short stacking energy: -510.394
Base-Backbone interact. energy: 0.850
local terms energy: -552.633902
where:
bonds (distance) C4'-P energy: -91.911
bonds (distance) P-C4' energy: -111.432
flat angles C4'-P-C4' energy: -117.274
flat angles P-C4'-P energy: -79.795
tors. eta vs tors. theta energy: -152.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1583.197386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.197386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.197386 (E_RNA)
where:
Base-Base interactions energy: -1082.015
where: short stacking energy: -451.050
Base-Backbone interact. energy: -4.203
local terms energy: -496.979905
where:
bonds (distance) C4'-P energy: -97.194
bonds (distance) P-C4' energy: -96.406
flat angles C4'-P-C4' energy: -110.589
flat angles P-C4'-P energy: -62.528
tors. eta vs tors. theta energy: -130.264
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: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1478.830219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.830219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.830219 (E_RNA)
where:
Base-Base interactions energy: -1007.211
where: short stacking energy: -447.724
Base-Backbone interact. energy: -2.329
local terms energy: -469.289607
where:
bonds (distance) C4'-P energy: -99.456
bonds (distance) P-C4' energy: -105.638
flat angles C4'-P-C4' energy: -95.563
flat angles P-C4'-P energy: -56.619
tors. eta vs tors. theta energy: -112.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1362.152715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.152715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.152715 (E_RNA)
where:
Base-Base interactions energy: -904.397
where: short stacking energy: -415.691
Base-Backbone interact. energy: -1.601
local terms energy: -456.154768
where:
bonds (distance) C4'-P energy: -98.925
bonds (distance) P-C4' energy: -83.336
flat angles C4'-P-C4' energy: -115.489
flat angles P-C4'-P energy: -63.258
tors. eta vs tors. theta energy: -95.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1213.581853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.581853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.581853 (E_RNA)
where:
Base-Base interactions energy: -783.290
where: short stacking energy: -359.598
Base-Backbone interact. energy: -0.288
local terms energy: -430.004197
where:
bonds (distance) C4'-P energy: -84.377
bonds (distance) P-C4' energy: -91.305
flat angles C4'-P-C4' energy: -109.070
flat angles P-C4'-P energy: -61.270
tors. eta vs tors. theta energy: -83.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1124.831213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.831213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.831213 (E_RNA)
where:
Base-Base interactions energy: -711.957
where: short stacking energy: -289.234
Base-Backbone interact. energy: -0.786
local terms energy: -412.087579
where:
bonds (distance) C4'-P energy: -97.175
bonds (distance) P-C4' energy: -94.704
flat angles C4'-P-C4' energy: -96.718
flat angles P-C4'-P energy: -59.619
tors. eta vs tors. theta energy: -63.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -911.271940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.271940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.271940 (E_RNA)
where:
Base-Base interactions energy: -572.451
where: short stacking energy: -264.557
Base-Backbone interact. energy: 1.433
local terms energy: -340.254847
where:
bonds (distance) C4'-P energy: -88.771
bonds (distance) P-C4' energy: -86.450
flat angles C4'-P-C4' energy: -77.370
flat angles P-C4'-P energy: -35.211
tors. eta vs tors. theta energy: -52.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -653.675489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.675489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.675489 (E_RNA)
where:
Base-Base interactions energy: -368.944
where: short stacking energy: -200.713
Base-Backbone interact. energy: -2.162
local terms energy: -282.569437
where:
bonds (distance) C4'-P energy: -85.488
bonds (distance) P-C4' energy: -75.367
flat angles C4'-P-C4' energy: -85.784
flat angles P-C4'-P energy: -36.176
tors. eta vs tors. theta energy: 0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1839.844684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.844684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.844684 (E_RNA)
where:
Base-Base interactions energy: -1244.426
where: short stacking energy: -551.716
Base-Backbone interact. energy: -2.453
local terms energy: -592.966446
where:
bonds (distance) C4'-P energy: -111.354
bonds (distance) P-C4' energy: -115.764
flat angles C4'-P-C4' energy: -125.122
flat angles P-C4'-P energy: -81.600
tors. eta vs tors. theta energy: -159.126
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: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1789.994742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.994742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.994742 (E_RNA)
where:
Base-Base interactions energy: -1233.070
where: short stacking energy: -500.230
Base-Backbone interact. energy: 1.507
local terms energy: -558.432183
where:
bonds (distance) C4'-P energy: -99.193
bonds (distance) P-C4' energy: -107.424
flat angles C4'-P-C4' energy: -124.251
flat angles P-C4'-P energy: -74.201
tors. eta vs tors. theta energy: -153.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1657.787478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.787478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.787478 (E_RNA)
where:
Base-Base interactions energy: -1106.357
where: short stacking energy: -480.225
Base-Backbone interact. energy: -1.309
local terms energy: -550.121631
where:
bonds (distance) C4'-P energy: -107.025
bonds (distance) P-C4' energy: -106.078
flat angles C4'-P-C4' energy: -111.866
flat angles P-C4'-P energy: -84.939
tors. eta vs tors. theta energy: -140.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1617.450931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.450931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.450931 (E_RNA)
where:
Base-Base interactions energy: -1098.997
where: short stacking energy: -474.783
Base-Backbone interact. energy: -1.054
local terms energy: -517.399362
where:
bonds (distance) C4'-P energy: -105.203
bonds (distance) P-C4' energy: -94.625
flat angles C4'-P-C4' energy: -109.015
flat angles P-C4'-P energy: -73.407
tors. eta vs tors. theta energy: -135.149
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: 176
Temperature: 1.100000
Total energy: -1497.204587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.204587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.204587 (E_RNA)
where:
Base-Base interactions energy: -1004.947
where: short stacking energy: -450.143
Base-Backbone interact. energy: -0.509
local terms energy: -491.748176
where:
bonds (distance) C4'-P energy: -104.695
bonds (distance) P-C4' energy: -79.631
flat angles C4'-P-C4' energy: -115.248
flat angles P-C4'-P energy: -77.182
tors. eta vs tors. theta energy: -114.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1371.478588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.478588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.478588 (E_RNA)
where:
Base-Base interactions energy: -889.759
where: short stacking energy: -357.209
Base-Backbone interact. energy: 1.863
local terms energy: -483.582762
where:
bonds (distance) C4'-P energy: -103.610
bonds (distance) P-C4' energy: -104.557
flat angles C4'-P-C4' energy: -114.308
flat angles P-C4'-P energy: -74.758
tors. eta vs tors. theta energy: -86.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1245.216939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.216939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.216939 (E_RNA)
where:
Base-Base interactions energy: -822.234
where: short stacking energy: -372.023
Base-Backbone interact. energy: 0.835
local terms energy: -423.818506
where:
bonds (distance) C4'-P energy: -82.043
bonds (distance) P-C4' energy: -98.396
flat angles C4'-P-C4' energy: -86.219
flat angles P-C4'-P energy: -65.217
tors. eta vs tors. theta energy: -91.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1158.145579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.145579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.145579 (E_RNA)
where:
Base-Base interactions energy: -770.194
where: short stacking energy: -330.556
Base-Backbone interact. energy: -2.765
local terms energy: -385.186543
where:
bonds (distance) C4'-P energy: -79.826
bonds (distance) P-C4' energy: -91.331
flat angles C4'-P-C4' energy: -85.922
flat angles P-C4'-P energy: -52.229
tors. eta vs tors. theta energy: -75.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -863.301468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.301468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.301468 (E_RNA)
where:
Base-Base interactions energy: -506.765
where: short stacking energy: -235.318
Base-Backbone interact. energy: 1.307
local terms energy: -357.842544
where:
bonds (distance) C4'-P energy: -95.024
bonds (distance) P-C4' energy: -109.928
flat angles C4'-P-C4' energy: -93.287
flat angles P-C4'-P energy: -49.367
tors. eta vs tors. theta energy: -10.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -628.355685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.355685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.355685 (E_RNA)
where:
Base-Base interactions energy: -341.765
where: short stacking energy: -169.367
Base-Backbone interact. energy: 3.790
local terms energy: -290.380103
where:
bonds (distance) C4'-P energy: -67.826
bonds (distance) P-C4' energy: -87.881
flat angles C4'-P-C4' energy: -97.647
flat angles P-C4'-P energy: -35.045
tors. eta vs tors. theta energy: -1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1858.861229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.861229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.861229 (E_RNA)
where:
Base-Base interactions energy: -1266.443
where: short stacking energy: -544.835
Base-Backbone interact. energy: -2.045
local terms energy: -590.373464
where:
bonds (distance) C4'-P energy: -107.724
bonds (distance) P-C4' energy: -111.797
flat angles C4'-P-C4' energy: -128.703
flat angles P-C4'-P energy: -85.917
tors. eta vs tors. theta energy: -156.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1752.674880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.674880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.674880 (E_RNA)
where:
Base-Base interactions energy: -1217.173
where: short stacking energy: -496.118
Base-Backbone interact. energy: -4.563
local terms energy: -530.938627
where:
bonds (distance) C4'-P energy: -103.214
bonds (distance) P-C4' energy: -102.106
flat angles C4'-P-C4' energy: -108.625
flat angles P-C4'-P energy: -77.651
tors. eta vs tors. theta energy: -139.342
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: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1664.903447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.903447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.903447 (E_RNA)
where:
Base-Base interactions energy: -1124.777
where: short stacking energy: -476.089
Base-Backbone interact. energy: -0.037
local terms energy: -540.089475
where:
bonds (distance) C4'-P energy: -104.346
bonds (distance) P-C4' energy: -97.282
flat angles C4'-P-C4' energy: -117.140
flat angles P-C4'-P energy: -82.934
tors. eta vs tors. theta energy: -138.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1650.305847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.305847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.305847 (E_RNA)
where:
Base-Base interactions energy: -1112.805
where: short stacking energy: -472.463
Base-Backbone interact. energy: -2.346
local terms energy: -535.154893
where:
bonds (distance) C4'-P energy: -105.942
bonds (distance) P-C4' energy: -105.713
flat angles C4'-P-C4' energy: -114.744
flat angles P-C4'-P energy: -67.806
tors. eta vs tors. theta energy: -140.949
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: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1483.248044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.248044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.248044 (E_RNA)
where:
Base-Base interactions energy: -978.928
where: short stacking energy: -424.551
Base-Backbone interact. energy: -1.715
local terms energy: -502.604650
where:
bonds (distance) C4'-P energy: -101.769
bonds (distance) P-C4' energy: -95.193
flat angles C4'-P-C4' energy: -100.504
flat angles P-C4'-P energy: -80.476
tors. eta vs tors. theta energy: -124.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1400.171533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.171533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.171533 (E_RNA)
where:
Base-Base interactions energy: -926.345
where: short stacking energy: -399.905
Base-Backbone interact. energy: -2.108
local terms energy: -471.718833
where:
bonds (distance) C4'-P energy: -91.011
bonds (distance) P-C4' energy: -99.167
flat angles C4'-P-C4' energy: -99.834
flat angles P-C4'-P energy: -75.620
tors. eta vs tors. theta energy: -106.087
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: 8
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1188.989921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.989921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.989921 (E_RNA)
where:
Base-Base interactions energy: -788.060
where: short stacking energy: -336.581
Base-Backbone interact. energy: 7.033
local terms energy: -407.962933
where:
bonds (distance) C4'-P energy: -84.657
bonds (distance) P-C4' energy: -88.012
flat angles C4'-P-C4' energy: -98.048
flat angles P-C4'-P energy: -57.111
tors. eta vs tors. theta energy: -80.135
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: 8, replica: 9
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1155.707292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.707292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.707292 (E_RNA)
where:
Base-Base interactions energy: -741.469
where: short stacking energy: -328.300
Base-Backbone interact. energy: -1.125
local terms energy: -413.113045
where:
bonds (distance) C4'-P energy: -94.526
bonds (distance) P-C4' energy: -100.470
flat angles C4'-P-C4' energy: -101.536
flat angles P-C4'-P energy: -56.558
tors. eta vs tors. theta energy: -60.023
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: 3
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -839.297018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.297018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.297018 (E_RNA)
where:
Base-Base interactions energy: -499.797
where: short stacking energy: -222.786
Base-Backbone interact. energy: 0.075
local terms energy: -339.575665
where:
bonds (distance) C4'-P energy: -81.688
bonds (distance) P-C4' energy: -103.277
flat angles C4'-P-C4' energy: -73.607
flat angles P-C4'-P energy: -55.530
tors. eta vs tors. theta energy: -25.474
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: 177
Temperature: 1.350000
Total energy: -634.399233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.399233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.399233 (E_RNA)
where:
Base-Base interactions energy: -350.151
where: short stacking energy: -184.936
Base-Backbone interact. energy: 0.897
local terms energy: -285.145302
where:
bonds (distance) C4'-P energy: -75.631
bonds (distance) P-C4' energy: -93.225
flat angles C4'-P-C4' energy: -53.505
flat angles P-C4'-P energy: -45.425
tors. eta vs tors. theta energy: -17.358
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: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1859.298212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.298212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.298212 (E_RNA)
where:
Base-Base interactions energy: -1268.451
where: short stacking energy: -549.460
Base-Backbone interact. energy: -2.486
local terms energy: -588.360259
where:
bonds (distance) C4'-P energy: -109.566
bonds (distance) P-C4' energy: -114.958
flat angles C4'-P-C4' energy: -122.777
flat angles P-C4'-P energy: -90.454
tors. eta vs tors. theta energy: -150.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1795.093962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.093962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.093962 (E_RNA)
where:
Base-Base interactions energy: -1249.672
where: short stacking energy: -538.393
Base-Backbone interact. energy: -4.458
local terms energy: -540.964588
where:
bonds (distance) C4'-P energy: -92.525
bonds (distance) P-C4' energy: -100.217
flat angles C4'-P-C4' energy: -114.733
flat angles P-C4'-P energy: -76.825
tors. eta vs tors. theta energy: -156.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1681.559519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.559519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.559519 (E_RNA)
where:
Base-Base interactions energy: -1152.277
where: short stacking energy: -475.793
Base-Backbone interact. energy: -3.836
local terms energy: -525.446701
where:
bonds (distance) C4'-P energy: -95.124
bonds (distance) P-C4' energy: -108.776
flat angles C4'-P-C4' energy: -109.999
flat angles P-C4'-P energy: -76.061
tors. eta vs tors. theta energy: -135.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1645.541843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.541843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.541843 (E_RNA)
where:
Base-Base interactions energy: -1094.646
where: short stacking energy: -488.171
Base-Backbone interact. energy: -2.102
local terms energy: -548.794210
where:
bonds (distance) C4'-P energy: -105.732
bonds (distance) P-C4' energy: -103.591
flat angles C4'-P-C4' energy: -117.898
flat angles P-C4'-P energy: -76.532
tors. eta vs tors. theta energy: -145.042
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: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1480.914453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.914453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.914453 (E_RNA)
where:
Base-Base interactions energy: -990.614
where: short stacking energy: -449.995
Base-Backbone interact. energy: -0.412
local terms energy: -489.888137
where:
bonds (distance) C4'-P energy: -94.679
bonds (distance) P-C4' energy: -94.069
flat angles C4'-P-C4' energy: -114.905
flat angles P-C4'-P energy: -68.326
tors. eta vs tors. theta energy: -117.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1400.675375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.675375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.675375 (E_RNA)
where:
Base-Base interactions energy: -962.778
where: short stacking energy: -422.687
Base-Backbone interact. energy: 0.276
local terms energy: -438.173829
where:
bonds (distance) C4'-P energy: -76.203
bonds (distance) P-C4' energy: -108.479
flat angles C4'-P-C4' energy: -95.449
flat angles P-C4'-P energy: -67.319
tors. eta vs tors. theta energy: -90.724
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: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1230.532734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.532734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.532734 (E_RNA)
where:
Base-Base interactions energy: -799.889
where: short stacking energy: -340.778
Base-Backbone interact. energy: -0.630
local terms energy: -430.013738
where:
bonds (distance) C4'-P energy: -87.057
bonds (distance) P-C4' energy: -103.773
flat angles C4'-P-C4' energy: -97.180
flat angles P-C4'-P energy: -69.393
tors. eta vs tors. theta energy: -72.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1152.065177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.065177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.065177 (E_RNA)
where:
Base-Base interactions energy: -762.165
where: short stacking energy: -308.227
Base-Backbone interact. energy: 1.941
local terms energy: -391.840772
where:
bonds (distance) C4'-P energy: -84.480
bonds (distance) P-C4' energy: -77.671
flat angles C4'-P-C4' energy: -104.378
flat angles P-C4'-P energy: -62.592
tors. eta vs tors. theta energy: -62.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -798.050007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.050007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.050007 (E_RNA)
where:
Base-Base interactions energy: -465.144
where: short stacking energy: -240.940
Base-Backbone interact. energy: 2.250
local terms energy: -335.156023
where:
bonds (distance) C4'-P energy: -82.803
bonds (distance) P-C4' energy: -104.801
flat angles C4'-P-C4' energy: -75.203
flat angles P-C4'-P energy: -46.709
tors. eta vs tors. theta energy: -25.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -659.259838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.259838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.259838 (E_RNA)
where:
Base-Base interactions energy: -362.036
where: short stacking energy: -193.349
Base-Backbone interact. energy: 1.661
local terms energy: -298.884616
where:
bonds (distance) C4'-P energy: -80.993
bonds (distance) P-C4' energy: -83.295
flat angles C4'-P-C4' energy: -74.589
flat angles P-C4'-P energy: -52.146
tors. eta vs tors. theta energy: -7.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1861.831857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.831857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.831857 (E_RNA)
where:
Base-Base interactions energy: -1282.710
where: short stacking energy: -545.655
Base-Backbone interact. energy: -1.875
local terms energy: -577.247047
where:
bonds (distance) C4'-P energy: -104.262
bonds (distance) P-C4' energy: -101.210
flat angles C4'-P-C4' energy: -134.764
flat angles P-C4'-P energy: -78.285
tors. eta vs tors. theta energy: -158.726
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: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1804.135748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.135748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.135748 (E_RNA)
where:
Base-Base interactions energy: -1249.614
where: short stacking energy: -523.324
Base-Backbone interact. energy: -3.465
local terms energy: -551.056986
where:
bonds (distance) C4'-P energy: -112.513
bonds (distance) P-C4' energy: -93.601
flat angles C4'-P-C4' energy: -114.966
flat angles P-C4'-P energy: -67.377
tors. eta vs tors. theta energy: -162.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1711.007732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.007732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.007732 (E_RNA)
where:
Base-Base interactions energy: -1198.922
where: short stacking energy: -514.352
Base-Backbone interact. energy: -1.889
local terms energy: -510.196607
where:
bonds (distance) C4'-P energy: -100.108
bonds (distance) P-C4' energy: -87.345
flat angles C4'-P-C4' energy: -105.974
flat angles P-C4'-P energy: -68.270
tors. eta vs tors. theta energy: -148.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1696.542593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.542593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.542593 (E_RNA)
where:
Base-Base interactions energy: -1161.452
where: short stacking energy: -503.404
Base-Backbone interact. energy: -1.882
local terms energy: -533.209299
where:
bonds (distance) C4'-P energy: -88.773
bonds (distance) P-C4' energy: -106.547
flat angles C4'-P-C4' energy: -115.697
flat angles P-C4'-P energy: -77.174
tors. eta vs tors. theta energy: -145.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1518.326781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.326781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.326781 (E_RNA)
where:
Base-Base interactions energy: -1015.924
where: short stacking energy: -445.185
Base-Backbone interact. energy: -1.914
local terms energy: -500.488766
where:
bonds (distance) C4'-P energy: -92.392
bonds (distance) P-C4' energy: -89.612
flat angles C4'-P-C4' energy: -116.566
flat angles P-C4'-P energy: -76.497
tors. eta vs tors. theta energy: -125.422
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: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1270.178727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.178727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.178727 (E_RNA)
where:
Base-Base interactions energy: -874.139
where: short stacking energy: -374.456
Base-Backbone interact. energy: -2.028
local terms energy: -394.011313
where:
bonds (distance) C4'-P energy: -87.350
bonds (distance) P-C4' energy: -82.358
flat angles C4'-P-C4' energy: -95.061
flat angles P-C4'-P energy: -47.105
tors. eta vs tors. theta energy: -82.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1392.237912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.237912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.237912 (E_RNA)
where:
Base-Base interactions energy: -949.950
where: short stacking energy: -414.211
Base-Backbone interact. energy: -2.408
local terms energy: -439.880626
where:
bonds (distance) C4'-P energy: -75.950
bonds (distance) P-C4' energy: -101.509
flat angles C4'-P-C4' energy: -102.127
flat angles P-C4'-P energy: -55.475
tors. eta vs tors. theta energy: -104.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1173.274583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.274583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.274583 (E_RNA)
where:
Base-Base interactions energy: -759.238
where: short stacking energy: -317.901
Base-Backbone interact. energy: -2.223
local terms energy: -411.813016
where:
bonds (distance) C4'-P energy: -85.399
bonds (distance) P-C4' energy: -86.829
flat angles C4'-P-C4' energy: -112.611
flat angles P-C4'-P energy: -57.331
tors. eta vs tors. theta energy: -69.642
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: 3
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -803.536259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.536259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.536259 (E_RNA)
where:
Base-Base interactions energy: -479.621
where: short stacking energy: -225.206
Base-Backbone interact. energy: 1.790
local terms energy: -325.705117
where:
bonds (distance) C4'-P energy: -97.423
bonds (distance) P-C4' energy: -67.180
flat angles C4'-P-C4' energy: -94.114
flat angles P-C4'-P energy: -46.702
tors. eta vs tors. theta energy: -20.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -638.801618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.801618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.801618 (E_RNA)
where:
Base-Base interactions energy: -339.037
where: short stacking energy: -191.145
Base-Backbone interact. energy: -0.287
local terms energy: -299.477079
where:
bonds (distance) C4'-P energy: -78.823
bonds (distance) P-C4' energy: -82.488
flat angles C4'-P-C4' energy: -76.294
flat angles P-C4'-P energy: -47.107
tors. eta vs tors. theta energy: -14.766
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: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1842.545737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.545737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.545737 (E_RNA)
where:
Base-Base interactions energy: -1266.898
where: short stacking energy: -526.995
Base-Backbone interact. energy: -2.600
local terms energy: -573.048072
where:
bonds (distance) C4'-P energy: -111.055
bonds (distance) P-C4' energy: -101.840
flat angles C4'-P-C4' energy: -130.815
flat angles P-C4'-P energy: -74.292
tors. eta vs tors. theta energy: -155.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1777.440939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.440939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.440939 (E_RNA)
where:
Base-Base interactions energy: -1234.856
where: short stacking energy: -478.692
Base-Backbone interact. energy: 0.272
local terms energy: -542.856567
where:
bonds (distance) C4'-P energy: -107.353
bonds (distance) P-C4' energy: -111.399
flat angles C4'-P-C4' energy: -117.603
flat angles P-C4'-P energy: -79.470
tors. eta vs tors. theta energy: -127.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1674.752633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.752633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.752633 (E_RNA)
where:
Base-Base interactions energy: -1142.927
where: short stacking energy: -514.702
Base-Backbone interact. energy: 0.816
local terms energy: -532.641342
where:
bonds (distance) C4'-P energy: -102.965
bonds (distance) P-C4' energy: -110.195
flat angles C4'-P-C4' energy: -106.168
flat angles P-C4'-P energy: -78.053
tors. eta vs tors. theta energy: -135.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1622.325815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.325815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.325815 (E_RNA)
where:
Base-Base interactions energy: -1120.388
where: short stacking energy: -461.748
Base-Backbone interact. energy: -0.347
local terms energy: -501.590427
where:
bonds (distance) C4'-P energy: -107.312
bonds (distance) P-C4' energy: -100.384
flat angles C4'-P-C4' energy: -98.831
flat angles P-C4'-P energy: -72.964
tors. eta vs tors. theta energy: -122.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1492.165436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.165436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.165436 (E_RNA)
where:
Base-Base interactions energy: -983.119
where: short stacking energy: -440.698
Base-Backbone interact. energy: 0.146
local terms energy: -509.192178
where:
bonds (distance) C4'-P energy: -102.544
bonds (distance) P-C4' energy: -101.834
flat angles C4'-P-C4' energy: -117.638
flat angles P-C4'-P energy: -66.135
tors. eta vs tors. theta energy: -121.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1307.541951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.541951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.541951 (E_RNA)
where:
Base-Base interactions energy: -853.013
where: short stacking energy: -364.346
Base-Backbone interact. energy: -0.829
local terms energy: -453.700133
where:
bonds (distance) C4'-P energy: -90.449
bonds (distance) P-C4' energy: -100.012
flat angles C4'-P-C4' energy: -106.766
flat angles P-C4'-P energy: -72.971
tors. eta vs tors. theta energy: -83.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1202.741730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.741730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.741730 (E_RNA)
where:
Base-Base interactions energy: -757.966
where: short stacking energy: -324.157
Base-Backbone interact. energy: 3.615
local terms energy: -448.391380
where:
bonds (distance) C4'-P energy: -111.178
bonds (distance) P-C4' energy: -96.382
flat angles C4'-P-C4' energy: -109.576
flat angles P-C4'-P energy: -57.137
tors. eta vs tors. theta energy: -74.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1290.408423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.408423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.408423 (E_RNA)
where:
Base-Base interactions energy: -852.953
where: short stacking energy: -370.229
Base-Backbone interact. energy: 2.804
local terms energy: -440.259134
where:
bonds (distance) C4'-P energy: -92.139
bonds (distance) P-C4' energy: -109.352
flat angles C4'-P-C4' energy: -97.209
flat angles P-C4'-P energy: -57.965
tors. eta vs tors. theta energy: -83.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -837.577356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.577356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.577356 (E_RNA)
where:
Base-Base interactions energy: -490.638
where: short stacking energy: -235.672
Base-Backbone interact. energy: 0.383
local terms energy: -347.322940
where:
bonds (distance) C4'-P energy: -83.189
bonds (distance) P-C4' energy: -96.228
flat angles C4'-P-C4' energy: -90.303
flat angles P-C4'-P energy: -38.060
tors. eta vs tors. theta energy: -39.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -607.973159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.973159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.973159 (E_RNA)
where:
Base-Base interactions energy: -290.791
where: short stacking energy: -164.863
Base-Backbone interact. energy: 1.842
local terms energy: -319.024319
where:
bonds (distance) C4'-P energy: -88.327
bonds (distance) P-C4' energy: -100.212
flat angles C4'-P-C4' energy: -95.514
flat angles P-C4'-P energy: -41.028
tors. eta vs tors. theta energy: 6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1861.735723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.735723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.735723 (E_RNA)
where:
Base-Base interactions energy: -1267.234
where: short stacking energy: -545.836
Base-Backbone interact. energy: 1.131
local terms energy: -595.633074
where:
bonds (distance) C4'-P energy: -112.961
bonds (distance) P-C4' energy: -123.155
flat angles C4'-P-C4' energy: -124.559
flat angles P-C4'-P energy: -80.028
tors. eta vs tors. theta energy: -154.931
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: 181
Temperature: 0.950000
Total energy: -1794.194613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.194613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.194613 (E_RNA)
where:
Base-Base interactions energy: -1249.722
where: short stacking energy: -520.111
Base-Backbone interact. energy: -3.569
local terms energy: -540.903827
where:
bonds (distance) C4'-P energy: -102.851
bonds (distance) P-C4' energy: -100.960
flat angles C4'-P-C4' energy: -111.652
flat angles P-C4'-P energy: -75.358
tors. eta vs tors. theta energy: -150.083
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: 3, replica: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1682.204606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.204606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.204606 (E_RNA)
where:
Base-Base interactions energy: -1121.848
where: short stacking energy: -508.679
Base-Backbone interact. energy: -1.744
local terms energy: -558.613320
where:
bonds (distance) C4'-P energy: -97.897
bonds (distance) P-C4' energy: -111.306
flat angles C4'-P-C4' energy: -124.585
flat angles P-C4'-P energy: -80.337
tors. eta vs tors. theta energy: -144.487
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: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1626.548970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.548970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.548970 (E_RNA)
where:
Base-Base interactions energy: -1132.154
where: short stacking energy: -481.752
Base-Backbone interact. energy: -0.600
local terms energy: -493.794276
where:
bonds (distance) C4'-P energy: -97.369
bonds (distance) P-C4' energy: -81.530
flat angles C4'-P-C4' energy: -106.506
flat angles P-C4'-P energy: -74.542
tors. eta vs tors. theta energy: -133.848
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: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1493.762641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.762641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.762641 (E_RNA)
where:
Base-Base interactions energy: -968.260
where: short stacking energy: -429.375
Base-Backbone interact. energy: -2.474
local terms energy: -523.027895
where:
bonds (distance) C4'-P energy: -105.768
bonds (distance) P-C4' energy: -102.078
flat angles C4'-P-C4' energy: -122.463
flat angles P-C4'-P energy: -80.826
tors. eta vs tors. theta energy: -111.892
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: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1355.508284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.508284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.508284 (E_RNA)
where:
Base-Base interactions energy: -882.962
where: short stacking energy: -412.769
Base-Backbone interact. energy: 0.080
local terms energy: -472.626800
where:
bonds (distance) C4'-P energy: -105.752
bonds (distance) P-C4' energy: -101.144
flat angles C4'-P-C4' energy: -108.015
flat angles P-C4'-P energy: -57.491
tors. eta vs tors. theta energy: -100.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1224.599800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.599800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.599800 (E_RNA)
where:
Base-Base interactions energy: -800.303
where: short stacking energy: -339.342
Base-Backbone interact. energy: 3.306
local terms energy: -427.603313
where:
bonds (distance) C4'-P energy: -99.042
bonds (distance) P-C4' energy: -98.830
flat angles C4'-P-C4' energy: -98.658
flat angles P-C4'-P energy: -57.980
tors. eta vs tors. theta energy: -73.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1272.823993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.823993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.823993 (E_RNA)
where:
Base-Base interactions energy: -837.931
where: short stacking energy: -363.769
Base-Backbone interact. energy: -0.647
local terms energy: -434.245733
where:
bonds (distance) C4'-P energy: -87.664
bonds (distance) P-C4' energy: -106.627
flat angles C4'-P-C4' energy: -94.215
flat angles P-C4'-P energy: -59.115
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: 9, replica: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -876.741597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.741597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.741597 (E_RNA)
where:
Base-Base interactions energy: -514.011
where: short stacking energy: -268.929
Base-Backbone interact. energy: 4.170
local terms energy: -366.900495
where:
bonds (distance) C4'-P energy: -78.973
bonds (distance) P-C4' energy: -84.758
flat angles C4'-P-C4' energy: -95.583
flat angles P-C4'-P energy: -57.049
tors. eta vs tors. theta energy: -50.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -590.111153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.111153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.111153 (E_RNA)
where:
Base-Base interactions energy: -289.084
where: short stacking energy: -156.009
Base-Backbone interact. energy: 7.036
local terms energy: -308.063007
where:
bonds (distance) C4'-P energy: -97.821
bonds (distance) P-C4' energy: -105.594
flat angles C4'-P-C4' energy: -88.289
flat angles P-C4'-P energy: -34.504
tors. eta vs tors. theta energy: 18.145
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: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1881.902025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.902025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.902025 (E_RNA)
where:
Base-Base interactions energy: -1302.591
where: short stacking energy: -560.942
Base-Backbone interact. energy: -0.393
local terms energy: -578.918348
where:
bonds (distance) C4'-P energy: -112.089
bonds (distance) P-C4' energy: -103.900
flat angles C4'-P-C4' energy: -115.430
flat angles P-C4'-P energy: -78.611
tors. eta vs tors. theta energy: -168.888
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: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1817.347259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.347259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.347259 (E_RNA)
where:
Base-Base interactions energy: -1255.929
where: short stacking energy: -543.229
Base-Backbone interact. energy: 1.477
local terms energy: -562.895342
where:
bonds (distance) C4'-P energy: -111.145
bonds (distance) P-C4' energy: -107.716
flat angles C4'-P-C4' energy: -115.713
flat angles P-C4'-P energy: -75.392
tors. eta vs tors. theta energy: -152.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1672.706641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.706641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.706641 (E_RNA)
where:
Base-Base interactions energy: -1162.094
where: short stacking energy: -502.605
Base-Backbone interact. energy: -0.065
local terms energy: -510.547109
where:
bonds (distance) C4'-P energy: -91.216
bonds (distance) P-C4' energy: -96.643
flat angles C4'-P-C4' energy: -113.200
flat angles P-C4'-P energy: -81.268
tors. eta vs tors. theta energy: -128.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1679.122383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.122383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.122383 (E_RNA)
where:
Base-Base interactions energy: -1149.767
where: short stacking energy: -478.483
Base-Backbone interact. energy: -1.489
local terms energy: -527.866013
where:
bonds (distance) C4'-P energy: -93.101
bonds (distance) P-C4' energy: -115.943
flat angles C4'-P-C4' energy: -115.863
flat angles P-C4'-P energy: -73.056
tors. eta vs tors. theta energy: -129.903
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: 182
Temperature: 1.100000
Total energy: -1493.634329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.634329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.634329 (E_RNA)
where:
Base-Base interactions energy: -1001.994
where: short stacking energy: -443.134
Base-Backbone interact. energy: -3.126
local terms energy: -488.513672
where:
bonds (distance) C4'-P energy: -97.041
bonds (distance) P-C4' energy: -87.431
flat angles C4'-P-C4' energy: -106.361
flat angles P-C4'-P energy: -68.021
tors. eta vs tors. theta energy: -129.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1358.519922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.519922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.519922 (E_RNA)
where:
Base-Base interactions energy: -890.574
where: short stacking energy: -424.744
Base-Backbone interact. energy: -1.004
local terms energy: -466.941826
where:
bonds (distance) C4'-P energy: -84.078
bonds (distance) P-C4' energy: -102.233
flat angles C4'-P-C4' energy: -98.801
flat angles P-C4'-P energy: -70.356
tors. eta vs tors. theta energy: -111.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1225.368238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.368238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.368238 (E_RNA)
where:
Base-Base interactions energy: -802.673
where: short stacking energy: -353.009
Base-Backbone interact. energy: -2.827
local terms energy: -419.868788
where:
bonds (distance) C4'-P energy: -84.108
bonds (distance) P-C4' energy: -94.392
flat angles C4'-P-C4' energy: -94.052
flat angles P-C4'-P energy: -69.131
tors. eta vs tors. theta energy: -78.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1256.655700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.655700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.655700 (E_RNA)
where:
Base-Base interactions energy: -812.789
where: short stacking energy: -345.551
Base-Backbone interact. energy: 0.396
local terms energy: -444.262998
where:
bonds (distance) C4'-P energy: -99.185
bonds (distance) P-C4' energy: -90.979
flat angles C4'-P-C4' energy: -110.189
flat angles P-C4'-P energy: -64.915
tors. eta vs tors. theta energy: -78.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -873.607355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.607355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.607355 (E_RNA)
where:
Base-Base interactions energy: -532.221
where: short stacking energy: -238.416
Base-Backbone interact. energy: 3.172
local terms energy: -344.558823
where:
bonds (distance) C4'-P energy: -91.130
bonds (distance) P-C4' energy: -72.318
flat angles C4'-P-C4' energy: -83.976
flat angles P-C4'-P energy: -52.232
tors. eta vs tors. theta energy: -44.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -609.593839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.593839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.593839 (E_RNA)
where:
Base-Base interactions energy: -313.335
where: short stacking energy: -169.002
Base-Backbone interact. energy: 4.110
local terms energy: -300.368138
where:
bonds (distance) C4'-P energy: -83.672
bonds (distance) P-C4' energy: -93.725
flat angles C4'-P-C4' energy: -76.323
flat angles P-C4'-P energy: -58.359
tors. eta vs tors. theta energy: 11.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1862.248018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.248018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.248018 (E_RNA)
where:
Base-Base interactions energy: -1284.359
where: short stacking energy: -555.182
Base-Backbone interact. energy: 0.315
local terms energy: -578.203983
where:
bonds (distance) C4'-P energy: -111.635
bonds (distance) P-C4' energy: -120.449
flat angles C4'-P-C4' energy: -110.525
flat angles P-C4'-P energy: -77.110
tors. eta vs tors. theta energy: -158.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1817.995395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.995395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.995395 (E_RNA)
where:
Base-Base interactions energy: -1255.515
where: short stacking energy: -540.285
Base-Backbone interact. energy: -5.185
local terms energy: -557.295237
where:
bonds (distance) C4'-P energy: -104.801
bonds (distance) P-C4' energy: -109.497
flat angles C4'-P-C4' energy: -112.499
flat angles P-C4'-P energy: -70.468
tors. eta vs tors. theta energy: -160.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1684.242229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.242229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.242229 (E_RNA)
where:
Base-Base interactions energy: -1120.022
where: short stacking energy: -498.224
Base-Backbone interact. energy: -3.080
local terms energy: -561.140461
where:
bonds (distance) C4'-P energy: -96.416
bonds (distance) P-C4' energy: -115.769
flat angles C4'-P-C4' energy: -121.747
flat angles P-C4'-P energy: -79.290
tors. eta vs tors. theta energy: -147.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1646.926879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.926879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.926879 (E_RNA)
where:
Base-Base interactions energy: -1137.514
where: short stacking energy: -467.772
Base-Backbone interact. energy: -2.775
local terms energy: -506.638239
where:
bonds (distance) C4'-P energy: -85.682
bonds (distance) P-C4' energy: -106.190
flat angles C4'-P-C4' energy: -117.711
flat angles P-C4'-P energy: -70.976
tors. eta vs tors. theta energy: -126.079
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: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1500.179317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.179317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.179317 (E_RNA)
where:
Base-Base interactions energy: -1019.308
where: short stacking energy: -447.831
Base-Backbone interact. energy: -2.876
local terms energy: -477.995546
where:
bonds (distance) C4'-P energy: -83.055
bonds (distance) P-C4' energy: -103.434
flat angles C4'-P-C4' energy: -90.711
flat angles P-C4'-P energy: -78.444
tors. eta vs tors. theta energy: -122.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1321.247622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.247622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.247622 (E_RNA)
where:
Base-Base interactions energy: -870.625
where: short stacking energy: -374.853
Base-Backbone interact. energy: -2.995
local terms energy: -447.627659
where:
bonds (distance) C4'-P energy: -91.197
bonds (distance) P-C4' energy: -101.602
flat angles C4'-P-C4' energy: -96.208
flat angles P-C4'-P energy: -71.155
tors. eta vs tors. theta energy: -87.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1258.234210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.234210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.234210 (E_RNA)
where:
Base-Base interactions energy: -833.723
where: short stacking energy: -362.407
Base-Backbone interact. energy: 9.822
local terms energy: -434.333447
where:
bonds (distance) C4'-P energy: -93.246
bonds (distance) P-C4' energy: -95.667
flat angles C4'-P-C4' energy: -91.879
flat angles P-C4'-P energy: -69.143
tors. eta vs tors. theta energy: -84.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1240.923568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.923568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.923568 (E_RNA)
where:
Base-Base interactions energy: -819.039
where: short stacking energy: -343.246
Base-Backbone interact. energy: -1.040
local terms energy: -420.844817
where:
bonds (distance) C4'-P energy: -93.378
bonds (distance) P-C4' energy: -106.211
flat angles C4'-P-C4' energy: -79.506
flat angles P-C4'-P energy: -59.425
tors. eta vs tors. theta energy: -82.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -965.764684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.764684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.764684 (E_RNA)
where:
Base-Base interactions energy: -581.166
where: short stacking energy: -263.182
Base-Backbone interact. energy: 1.652
local terms energy: -386.250995
where:
bonds (distance) C4'-P energy: -93.436
bonds (distance) P-C4' energy: -99.244
flat angles C4'-P-C4' energy: -79.682
flat angles P-C4'-P energy: -74.858
tors. eta vs tors. theta energy: -39.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -550.070706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.070706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.070706 (E_RNA)
where:
Base-Base interactions energy: -241.123
where: short stacking energy: -150.073
Base-Backbone interact. energy: -1.108
local terms energy: -307.838873
where:
bonds (distance) C4'-P energy: -94.717
bonds (distance) P-C4' energy: -110.054
flat angles C4'-P-C4' energy: -65.644
flat angles P-C4'-P energy: -28.730
tors. eta vs tors. theta energy: -8.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1860.061834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.061834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.061834 (E_RNA)
where:
Base-Base interactions energy: -1291.740
where: short stacking energy: -532.791
Base-Backbone interact. energy: 0.428
local terms energy: -568.750016
where:
bonds (distance) C4'-P energy: -113.794
bonds (distance) P-C4' energy: -122.463
flat angles C4'-P-C4' energy: -114.264
flat angles P-C4'-P energy: -68.459
tors. eta vs tors. theta energy: -149.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1766.097256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.097256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.097256 (E_RNA)
where:
Base-Base interactions energy: -1203.561
where: short stacking energy: -532.078
Base-Backbone interact. energy: -1.040
local terms energy: -561.496748
where:
bonds (distance) C4'-P energy: -110.015
bonds (distance) P-C4' energy: -111.304
flat angles C4'-P-C4' energy: -117.027
flat angles P-C4'-P energy: -72.801
tors. eta vs tors. theta energy: -150.350
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: 184
Temperature: 1.000000
Total energy: -1672.852249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.852249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.852249 (E_RNA)
where:
Base-Base interactions energy: -1132.930
where: short stacking energy: -490.322
Base-Backbone interact. energy: 0.247
local terms energy: -540.170041
where:
bonds (distance) C4'-P energy: -101.854
bonds (distance) P-C4' energy: -106.492
flat angles C4'-P-C4' energy: -118.853
flat angles P-C4'-P energy: -70.447
tors. eta vs tors. theta energy: -142.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1649.304603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.304603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.304603 (E_RNA)
where:
Base-Base interactions energy: -1141.707
where: short stacking energy: -489.791
Base-Backbone interact. energy: -0.847
local terms energy: -506.750686
where:
bonds (distance) C4'-P energy: -83.307
bonds (distance) P-C4' energy: -90.770
flat angles C4'-P-C4' energy: -126.339
flat angles P-C4'-P energy: -76.059
tors. eta vs tors. theta energy: -130.275
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: 184
Temperature: 1.100000
Total energy: -1479.711424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.711424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.711424 (E_RNA)
where:
Base-Base interactions energy: -979.533
where: short stacking energy: -416.979
Base-Backbone interact. energy: -2.275
local terms energy: -497.903435
where:
bonds (distance) C4'-P energy: -101.787
bonds (distance) P-C4' energy: -97.065
flat angles C4'-P-C4' energy: -104.337
flat angles P-C4'-P energy: -74.206
tors. eta vs tors. theta energy: -120.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1385.544868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.544868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.544868 (E_RNA)
where:
Base-Base interactions energy: -935.613
where: short stacking energy: -389.332
Base-Backbone interact. energy: -1.865
local terms energy: -448.066932
where:
bonds (distance) C4'-P energy: -97.187
bonds (distance) P-C4' energy: -102.792
flat angles C4'-P-C4' energy: -110.027
flat angles P-C4'-P energy: -57.898
tors. eta vs tors. theta energy: -80.163
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: 7, replica: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1309.192173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.192173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.192173 (E_RNA)
where:
Base-Base interactions energy: -855.393
where: short stacking energy: -371.523
Base-Backbone interact. energy: 2.158
local terms energy: -455.956899
where:
bonds (distance) C4'-P energy: -85.047
bonds (distance) P-C4' energy: -107.569
flat angles C4'-P-C4' energy: -100.688
flat angles P-C4'-P energy: -64.602
tors. eta vs tors. theta energy: -98.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1178.016948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.016948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.016948 (E_RNA)
where:
Base-Base interactions energy: -763.101
where: short stacking energy: -343.720
Base-Backbone interact. energy: 4.917
local terms energy: -419.832934
where:
bonds (distance) C4'-P energy: -88.645
bonds (distance) P-C4' energy: -95.028
flat angles C4'-P-C4' energy: -95.682
flat angles P-C4'-P energy: -59.772
tors. eta vs tors. theta energy: -80.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -941.660296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.660296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.660296 (E_RNA)
where:
Base-Base interactions energy: -570.421
where: short stacking energy: -275.604
Base-Backbone interact. energy: 0.318
local terms energy: -371.556850
where:
bonds (distance) C4'-P energy: -81.839
bonds (distance) P-C4' energy: -93.858
flat angles C4'-P-C4' energy: -82.737
flat angles P-C4'-P energy: -61.081
tors. eta vs tors. theta energy: -52.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -525.459225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.459225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.459225 (E_RNA)
where:
Base-Base interactions energy: -239.822
where: short stacking energy: -163.199
Base-Backbone interact. energy: 2.141
local terms energy: -287.778744
where:
bonds (distance) C4'-P energy: -81.398
bonds (distance) P-C4' energy: -90.750
flat angles C4'-P-C4' energy: -80.236
flat angles P-C4'-P energy: -42.082
tors. eta vs tors. theta energy: 6.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1868.863992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.863992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.863992 (E_RNA)
where:
Base-Base interactions energy: -1286.307
where: short stacking energy: -534.059
Base-Backbone interact. energy: -5.534
local terms energy: -577.023652
where:
bonds (distance) C4'-P energy: -103.651
bonds (distance) P-C4' energy: -106.541
flat angles C4'-P-C4' energy: -130.408
flat angles P-C4'-P energy: -68.703
tors. eta vs tors. theta energy: -167.720
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: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1787.872748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.872748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.872748 (E_RNA)
where:
Base-Base interactions energy: -1239.077
where: short stacking energy: -542.722
Base-Backbone interact. energy: -1.859
local terms energy: -546.937501
where:
bonds (distance) C4'-P energy: -85.431
bonds (distance) P-C4' energy: -110.832
flat angles C4'-P-C4' energy: -122.709
flat angles P-C4'-P energy: -75.512
tors. eta vs tors. theta energy: -152.454
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: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1708.111093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.111093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.111093 (E_RNA)
where:
Base-Base interactions energy: -1174.643
where: short stacking energy: -525.084
Base-Backbone interact. energy: -1.099
local terms energy: -532.369205
where:
bonds (distance) C4'-P energy: -98.444
bonds (distance) P-C4' energy: -97.610
flat angles C4'-P-C4' energy: -111.031
flat angles P-C4'-P energy: -77.176
tors. eta vs tors. theta energy: -148.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1637.897439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.897439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.897439 (E_RNA)
where:
Base-Base interactions energy: -1114.063
where: short stacking energy: -460.393
Base-Backbone interact. energy: -3.093
local terms energy: -520.742058
where:
bonds (distance) C4'-P energy: -94.082
bonds (distance) P-C4' energy: -106.981
flat angles C4'-P-C4' energy: -110.035
flat angles P-C4'-P energy: -77.179
tors. eta vs tors. theta energy: -132.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1474.592785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.592785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.592785 (E_RNA)
where:
Base-Base interactions energy: -991.422
where: short stacking energy: -454.106
Base-Backbone interact. energy: 1.692
local terms energy: -484.862255
where:
bonds (distance) C4'-P energy: -93.824
bonds (distance) P-C4' energy: -102.018
flat angles C4'-P-C4' energy: -105.506
flat angles P-C4'-P energy: -73.318
tors. eta vs tors. theta energy: -110.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1363.186624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.186624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.186624 (E_RNA)
where:
Base-Base interactions energy: -930.917
where: short stacking energy: -397.362
Base-Backbone interact. energy: -2.178
local terms energy: -430.091885
where:
bonds (distance) C4'-P energy: -99.137
bonds (distance) P-C4' energy: -79.061
flat angles C4'-P-C4' energy: -110.121
flat angles P-C4'-P energy: -53.977
tors. eta vs tors. theta energy: -87.795
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: 185
Temperature: 1.200000
Total energy: -1289.937440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.937440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.937440 (E_RNA)
where:
Base-Base interactions energy: -842.497
where: short stacking energy: -353.578
Base-Backbone interact. energy: -1.001
local terms energy: -446.439531
where:
bonds (distance) C4'-P energy: -110.247
bonds (distance) P-C4' energy: -81.797
flat angles C4'-P-C4' energy: -104.559
flat angles P-C4'-P energy: -64.805
tors. eta vs tors. theta energy: -85.031
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: 9
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1157.848849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.848849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.848849 (E_RNA)
where:
Base-Base interactions energy: -752.476
where: short stacking energy: -326.456
Base-Backbone interact. energy: -2.034
local terms energy: -403.339045
where:
bonds (distance) C4'-P energy: -91.123
bonds (distance) P-C4' energy: -91.197
flat angles C4'-P-C4' energy: -82.773
flat angles P-C4'-P energy: -64.752
tors. eta vs tors. theta energy: -73.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -909.609686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.609686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.609686 (E_RNA)
where:
Base-Base interactions energy: -549.032
where: short stacking energy: -260.440
Base-Backbone interact. energy: 0.951
local terms energy: -361.529539
where:
bonds (distance) C4'-P energy: -91.539
bonds (distance) P-C4' energy: -90.161
flat angles C4'-P-C4' energy: -91.136
flat angles P-C4'-P energy: -44.814
tors. eta vs tors. theta energy: -43.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -492.148555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.148555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.148555 (E_RNA)
where:
Base-Base interactions energy: -226.089
where: short stacking energy: -141.307
Base-Backbone interact. energy: -2.701
local terms energy: -263.358935
where:
bonds (distance) C4'-P energy: -92.808
bonds (distance) P-C4' energy: -91.451
flat angles C4'-P-C4' energy: -62.273
flat angles P-C4'-P energy: -22.395
tors. eta vs tors. theta energy: 5.568
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: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1885.250441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.250441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.250441 (E_RNA)
where:
Base-Base interactions energy: -1286.452
where: short stacking energy: -541.457
Base-Backbone interact. energy: -5.323
local terms energy: -593.475333
where:
bonds (distance) C4'-P energy: -109.758
bonds (distance) P-C4' energy: -106.639
flat angles C4'-P-C4' energy: -123.690
flat angles P-C4'-P energy: -83.661
tors. eta vs tors. theta energy: -169.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1812.036958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.036958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.036958 (E_RNA)
where:
Base-Base interactions energy: -1234.314
where: short stacking energy: -545.440
Base-Backbone interact. energy: -1.268
local terms energy: -576.455233
where:
bonds (distance) C4'-P energy: -114.332
bonds (distance) P-C4' energy: -111.208
flat angles C4'-P-C4' energy: -125.102
flat angles P-C4'-P energy: -71.875
tors. eta vs tors. theta energy: -153.939
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: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1682.368182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.368182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.368182 (E_RNA)
where:
Base-Base interactions energy: -1101.282
where: short stacking energy: -475.997
Base-Backbone interact. energy: -1.313
local terms energy: -579.773101
where:
bonds (distance) C4'-P energy: -116.993
bonds (distance) P-C4' energy: -107.084
flat angles C4'-P-C4' energy: -118.510
flat angles P-C4'-P energy: -84.867
tors. eta vs tors. theta energy: -152.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1634.155526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.155526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.155526 (E_RNA)
where:
Base-Base interactions energy: -1113.525
where: short stacking energy: -463.513
Base-Backbone interact. energy: -2.420
local terms energy: -518.211164
where:
bonds (distance) C4'-P energy: -97.217
bonds (distance) P-C4' energy: -97.716
flat angles C4'-P-C4' energy: -103.394
flat angles P-C4'-P energy: -87.402
tors. eta vs tors. theta energy: -132.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1499.966901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.966901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.966901 (E_RNA)
where:
Base-Base interactions energy: -1004.214
where: short stacking energy: -440.614
Base-Backbone interact. energy: -0.205
local terms energy: -495.547457
where:
bonds (distance) C4'-P energy: -91.500
bonds (distance) P-C4' energy: -105.706
flat angles C4'-P-C4' energy: -115.562
flat angles P-C4'-P energy: -68.176
tors. eta vs tors. theta energy: -114.603
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: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1410.934920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.934920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.934920 (E_RNA)
where:
Base-Base interactions energy: -969.265
where: short stacking energy: -413.532
Base-Backbone interact. energy: -0.424
local terms energy: -441.246194
where:
bonds (distance) C4'-P energy: -89.611
bonds (distance) P-C4' energy: -100.248
flat angles C4'-P-C4' energy: -99.283
flat angles P-C4'-P energy: -53.596
tors. eta vs tors. theta energy: -98.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1285.396030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.396030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.396030 (E_RNA)
where:
Base-Base interactions energy: -865.915
where: short stacking energy: -358.691
Base-Backbone interact. energy: 3.173
local terms energy: -422.654118
where:
bonds (distance) C4'-P energy: -102.136
bonds (distance) P-C4' energy: -91.998
flat angles C4'-P-C4' energy: -99.982
flat angles P-C4'-P energy: -53.548
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: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1137.673433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.673433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.673433 (E_RNA)
where:
Base-Base interactions energy: -745.348
where: short stacking energy: -307.320
Base-Backbone interact. energy: -0.047
local terms energy: -392.278694
where:
bonds (distance) C4'-P energy: -89.257
bonds (distance) P-C4' energy: -92.909
flat angles C4'-P-C4' energy: -90.477
flat angles P-C4'-P energy: -55.036
tors. eta vs tors. theta energy: -64.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -937.673955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.673955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.673955 (E_RNA)
where:
Base-Base interactions energy: -580.262
where: short stacking energy: -266.597
Base-Backbone interact. energy: -1.309
local terms energy: -356.102744
where:
bonds (distance) C4'-P energy: -80.957
bonds (distance) P-C4' energy: -107.476
flat angles C4'-P-C4' energy: -65.558
flat angles P-C4'-P energy: -43.969
tors. eta vs tors. theta energy: -58.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -514.202116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.202116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.202116 (E_RNA)
where:
Base-Base interactions energy: -224.562
where: short stacking energy: -130.901
Base-Backbone interact. energy: -0.005
local terms energy: -289.635432
where:
bonds (distance) C4'-P energy: -87.242
bonds (distance) P-C4' energy: -89.454
flat angles C4'-P-C4' energy: -84.328
flat angles P-C4'-P energy: -49.617
tors. eta vs tors. theta energy: 21.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1851.060201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.060201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.060201 (E_RNA)
where:
Base-Base interactions energy: -1273.144
where: short stacking energy: -527.328
Base-Backbone interact. energy: -4.065
local terms energy: -573.851126
where:
bonds (distance) C4'-P energy: -121.338
bonds (distance) P-C4' energy: -106.965
flat angles C4'-P-C4' energy: -113.399
flat angles P-C4'-P energy: -77.415
tors. eta vs tors. theta energy: -154.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1814.042909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.042909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.042909 (E_RNA)
where:
Base-Base interactions energy: -1228.164
where: short stacking energy: -519.344
Base-Backbone interact. energy: -3.256
local terms energy: -582.622298
where:
bonds (distance) C4'-P energy: -108.045
bonds (distance) P-C4' energy: -114.269
flat angles C4'-P-C4' energy: -128.178
flat angles P-C4'-P energy: -79.352
tors. eta vs tors. theta energy: -152.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1724.209251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.209251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.209251 (E_RNA)
where:
Base-Base interactions energy: -1155.507
where: short stacking energy: -515.004
Base-Backbone interact. energy: -3.518
local terms energy: -565.184548
where:
bonds (distance) C4'-P energy: -111.211
bonds (distance) P-C4' energy: -85.829
flat angles C4'-P-C4' energy: -126.234
flat angles P-C4'-P energy: -80.595
tors. eta vs tors. theta energy: -161.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1654.864623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.864623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.864623 (E_RNA)
where:
Base-Base interactions energy: -1127.559
where: short stacking energy: -489.079
Base-Backbone interact. energy: 1.627
local terms energy: -528.932609
where:
bonds (distance) C4'-P energy: -100.091
bonds (distance) P-C4' energy: -109.874
flat angles C4'-P-C4' energy: -116.168
flat angles P-C4'-P energy: -67.445
tors. eta vs tors. theta energy: -135.356
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: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1488.965929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.965929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.965929 (E_RNA)
where:
Base-Base interactions energy: -999.072
where: short stacking energy: -440.892
Base-Backbone interact. energy: 0.541
local terms energy: -490.434605
where:
bonds (distance) C4'-P energy: -104.270
bonds (distance) P-C4' energy: -96.175
flat angles C4'-P-C4' energy: -114.545
flat angles P-C4'-P energy: -67.298
tors. eta vs tors. theta energy: -108.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1417.039080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.039080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.039080 (E_RNA)
where:
Base-Base interactions energy: -966.666
where: short stacking energy: -392.246
Base-Backbone interact. energy: 7.723
local terms energy: -458.095777
where:
bonds (distance) C4'-P energy: -97.121
bonds (distance) P-C4' energy: -104.363
flat angles C4'-P-C4' energy: -96.451
flat angles P-C4'-P energy: -62.237
tors. eta vs tors. theta energy: -97.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1294.399478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.399478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.399478 (E_RNA)
where:
Base-Base interactions energy: -868.206
where: short stacking energy: -351.872
Base-Backbone interact. energy: -1.995
local terms energy: -424.198717
where:
bonds (distance) C4'-P energy: -88.159
bonds (distance) P-C4' energy: -90.121
flat angles C4'-P-C4' energy: -96.365
flat angles P-C4'-P energy: -69.934
tors. eta vs tors. theta energy: -79.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1098.915584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.915584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.915584 (E_RNA)
where:
Base-Base interactions energy: -721.608
where: short stacking energy: -311.483
Base-Backbone interact. energy: -0.591
local terms energy: -376.716731
where:
bonds (distance) C4'-P energy: -76.068
bonds (distance) P-C4' energy: -89.901
flat angles C4'-P-C4' energy: -87.508
flat angles P-C4'-P energy: -57.976
tors. eta vs tors. theta energy: -65.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -952.462801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.462801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.462801 (E_RNA)
where:
Base-Base interactions energy: -575.076
where: short stacking energy: -286.629
Base-Backbone interact. energy: 3.817
local terms energy: -381.204297
where:
bonds (distance) C4'-P energy: -90.715
bonds (distance) P-C4' energy: -101.079
flat angles C4'-P-C4' energy: -82.112
flat angles P-C4'-P energy: -55.485
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: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -505.300214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.300214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.300214 (E_RNA)
where:
Base-Base interactions energy: -236.056
where: short stacking energy: -132.689
Base-Backbone interact. energy: 3.908
local terms energy: -273.152062
where:
bonds (distance) C4'-P energy: -84.442
bonds (distance) P-C4' energy: -87.783
flat angles C4'-P-C4' energy: -72.827
flat angles P-C4'-P energy: -41.001
tors. eta vs tors. theta energy: 12.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1866.147776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.147776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.147776 (E_RNA)
where:
Base-Base interactions energy: -1301.309
where: short stacking energy: -538.471
Base-Backbone interact. energy: -2.141
local terms energy: -562.698406
where:
bonds (distance) C4'-P energy: -105.289
bonds (distance) P-C4' energy: -102.929
flat angles C4'-P-C4' energy: -119.760
flat angles P-C4'-P energy: -82.038
tors. eta vs tors. theta energy: -152.682
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: 188
Temperature: 0.950000
Total energy: -1796.689655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.689655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.689655 (E_RNA)
where:
Base-Base interactions energy: -1235.988
where: short stacking energy: -528.458
Base-Backbone interact. energy: -1.271
local terms energy: -559.430555
where:
bonds (distance) C4'-P energy: -109.810
bonds (distance) P-C4' energy: -104.182
flat angles C4'-P-C4' energy: -118.322
flat angles P-C4'-P energy: -80.548
tors. eta vs tors. theta energy: -146.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1718.026461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.026461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.026461 (E_RNA)
where:
Base-Base interactions energy: -1203.950
where: short stacking energy: -508.879
Base-Backbone interact. energy: -0.422
local terms energy: -513.654101
where:
bonds (distance) C4'-P energy: -81.334
bonds (distance) P-C4' energy: -94.070
flat angles C4'-P-C4' energy: -113.388
flat angles P-C4'-P energy: -83.986
tors. eta vs tors. theta energy: -140.876
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: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1617.472951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.472951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.472951 (E_RNA)
where:
Base-Base interactions energy: -1095.522
where: short stacking energy: -470.744
Base-Backbone interact. energy: -2.874
local terms energy: -519.077041
where:
bonds (distance) C4'-P energy: -111.042
bonds (distance) P-C4' energy: -98.741
flat angles C4'-P-C4' energy: -103.913
flat angles P-C4'-P energy: -67.659
tors. eta vs tors. theta energy: -137.722
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: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1466.426518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.426518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.426518 (E_RNA)
where:
Base-Base interactions energy: -1005.465
where: short stacking energy: -453.026
Base-Backbone interact. energy: 2.008
local terms energy: -462.969663
where:
bonds (distance) C4'-P energy: -77.383
bonds (distance) P-C4' energy: -107.158
flat angles C4'-P-C4' energy: -99.851
flat angles P-C4'-P energy: -66.815
tors. eta vs tors. theta energy: -111.763
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: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1404.965997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.965997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.965997 (E_RNA)
where:
Base-Base interactions energy: -939.848
where: short stacking energy: -409.336
Base-Backbone interact. energy: 1.324
local terms energy: -466.442021
where:
bonds (distance) C4'-P energy: -99.712
bonds (distance) P-C4' energy: -95.460
flat angles C4'-P-C4' energy: -101.813
flat angles P-C4'-P energy: -73.017
tors. eta vs tors. theta energy: -96.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1325.292902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.292902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.292902 (E_RNA)
where:
Base-Base interactions energy: -887.917
where: short stacking energy: -392.858
Base-Backbone interact. energy: -1.549
local terms energy: -435.827252
where:
bonds (distance) C4'-P energy: -82.998
bonds (distance) P-C4' energy: -100.187
flat angles C4'-P-C4' energy: -90.141
flat angles P-C4'-P energy: -61.529
tors. eta vs tors. theta energy: -100.972
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: 8, replica: 9
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1107.890325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.890325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.890325 (E_RNA)
where:
Base-Base interactions energy: -705.252
where: short stacking energy: -327.225
Base-Backbone interact. energy: -0.162
local terms energy: -402.476528
where:
bonds (distance) C4'-P energy: -86.837
bonds (distance) P-C4' energy: -89.447
flat angles C4'-P-C4' energy: -99.180
flat angles P-C4'-P energy: -63.714
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: 9, replica: 3
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -993.028671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.028671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.028671 (E_RNA)
where:
Base-Base interactions energy: -624.150
where: short stacking energy: -298.877
Base-Backbone interact. energy: 0.013
local terms energy: -368.891349
where:
bonds (distance) C4'-P energy: -91.513
bonds (distance) P-C4' energy: -83.072
flat angles C4'-P-C4' energy: -90.231
flat angles P-C4'-P energy: -57.051
tors. eta vs tors. theta energy: -47.024
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: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -490.489416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.489416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.489416 (E_RNA)
where:
Base-Base interactions energy: -206.456
where: short stacking energy: -134.669
Base-Backbone interact. energy: -1.177
local terms energy: -282.856867
where:
bonds (distance) C4'-P energy: -67.538
bonds (distance) P-C4' energy: -92.971
flat angles C4'-P-C4' energy: -75.174
flat angles P-C4'-P energy: -56.708
tors. eta vs tors. theta energy: 9.534
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: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1852.803267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.803267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.803267 (E_RNA)
where:
Base-Base interactions energy: -1260.622
where: short stacking energy: -534.391
Base-Backbone interact. energy: -3.367
local terms energy: -588.814959
where:
bonds (distance) C4'-P energy: -111.293
bonds (distance) P-C4' energy: -102.607
flat angles C4'-P-C4' energy: -128.769
flat angles P-C4'-P energy: -85.857
tors. eta vs tors. theta energy: -160.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1803.587069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.587069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.587069 (E_RNA)
where:
Base-Base interactions energy: -1252.847
where: short stacking energy: -536.943
Base-Backbone interact. energy: 1.475
local terms energy: -552.215252
where:
bonds (distance) C4'-P energy: -96.835
bonds (distance) P-C4' energy: -100.316
flat angles C4'-P-C4' energy: -120.160
flat angles P-C4'-P energy: -81.564
tors. eta vs tors. theta energy: -153.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1725.929155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.929155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.929155 (E_RNA)
where:
Base-Base interactions energy: -1177.220
where: short stacking energy: -499.726
Base-Backbone interact. energy: -4.380
local terms energy: -544.329624
where:
bonds (distance) C4'-P energy: -108.496
bonds (distance) P-C4' energy: -93.050
flat angles C4'-P-C4' energy: -115.864
flat angles P-C4'-P energy: -86.344
tors. eta vs tors. theta energy: -140.576
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: 7
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1640.309353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.309353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.309353 (E_RNA)
where:
Base-Base interactions energy: -1107.747
where: short stacking energy: -473.089
Base-Backbone interact. energy: -1.999
local terms energy: -530.563496
where:
bonds (distance) C4'-P energy: -108.104
bonds (distance) P-C4' energy: -99.446
flat angles C4'-P-C4' energy: -105.418
flat angles P-C4'-P energy: -81.193
tors. eta vs tors. theta energy: -136.403
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: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1430.031065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.031065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.031065 (E_RNA)
where:
Base-Base interactions energy: -956.645
where: short stacking energy: -427.341
Base-Backbone interact. energy: -0.783
local terms energy: -472.602726
where:
bonds (distance) C4'-P energy: -87.393
bonds (distance) P-C4' energy: -99.435
flat angles C4'-P-C4' energy: -111.672
flat angles P-C4'-P energy: -63.460
tors. eta vs tors. theta energy: -110.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1397.242237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.242237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.242237 (E_RNA)
where:
Base-Base interactions energy: -930.743
where: short stacking energy: -395.085
Base-Backbone interact. energy: -2.377
local terms energy: -464.122300
where:
bonds (distance) C4'-P energy: -93.567
bonds (distance) P-C4' energy: -94.507
flat angles C4'-P-C4' energy: -104.110
flat angles P-C4'-P energy: -72.711
tors. eta vs tors. theta energy: -99.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1345.605274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.605274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.605274 (E_RNA)
where:
Base-Base interactions energy: -917.335
where: short stacking energy: -369.888
Base-Backbone interact. energy: -0.326
local terms energy: -427.944206
where:
bonds (distance) C4'-P energy: -85.817
bonds (distance) P-C4' energy: -85.689
flat angles C4'-P-C4' energy: -113.144
flat angles P-C4'-P energy: -60.705
tors. eta vs tors. theta energy: -82.590
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: 8, replica: 9
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1152.817725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.817725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.817725 (E_RNA)
where:
Base-Base interactions energy: -756.910
where: short stacking energy: -303.621
Base-Backbone interact. energy: -0.145
local terms energy: -395.763100
where:
bonds (distance) C4'-P energy: -83.278
bonds (distance) P-C4' energy: -100.544
flat angles C4'-P-C4' energy: -88.722
flat angles P-C4'-P energy: -52.664
tors. eta vs tors. theta energy: -70.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -907.399470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.399470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.399470 (E_RNA)
where:
Base-Base interactions energy: -538.147
where: short stacking energy: -252.430
Base-Backbone interact. energy: 3.804
local terms energy: -373.055801
where:
bonds (distance) C4'-P energy: -76.962
bonds (distance) P-C4' energy: -100.017
flat angles C4'-P-C4' energy: -96.071
flat angles P-C4'-P energy: -59.391
tors. eta vs tors. theta energy: -40.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -501.622747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.622747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.622747 (E_RNA)
where:
Base-Base interactions energy: -198.149
where: short stacking energy: -141.418
Base-Backbone interact. energy: 1.684
local terms energy: -305.157734
where:
bonds (distance) C4'-P energy: -97.593
bonds (distance) P-C4' energy: -107.470
flat angles C4'-P-C4' energy: -74.096
flat angles P-C4'-P energy: -38.314
tors. eta vs tors. theta energy: 12.316
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: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1852.486657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.486657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.486657 (E_RNA)
where:
Base-Base interactions energy: -1270.543
where: short stacking energy: -535.367
Base-Backbone interact. energy: -3.313
local terms energy: -578.630258
where:
bonds (distance) C4'-P energy: -105.146
bonds (distance) P-C4' energy: -116.971
flat angles C4'-P-C4' energy: -118.341
flat angles P-C4'-P energy: -81.434
tors. eta vs tors. theta energy: -156.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1806.117217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.117217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.117217 (E_RNA)
where:
Base-Base interactions energy: -1230.153
where: short stacking energy: -538.715
Base-Backbone interact. energy: -1.971
local terms energy: -573.993296
where:
bonds (distance) C4'-P energy: -102.611
bonds (distance) P-C4' energy: -105.829
flat angles C4'-P-C4' energy: -127.648
flat angles P-C4'-P energy: -83.778
tors. eta vs tors. theta energy: -154.128
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: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1714.925604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.925604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.925604 (E_RNA)
where:
Base-Base interactions energy: -1164.922
where: short stacking energy: -486.940
Base-Backbone interact. energy: -1.631
local terms energy: -548.373041
where:
bonds (distance) C4'-P energy: -96.874
bonds (distance) P-C4' energy: -102.633
flat angles C4'-P-C4' energy: -111.727
flat angles P-C4'-P energy: -86.391
tors. eta vs tors. theta energy: -150.747
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: 7
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1636.710250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.710250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.710250 (E_RNA)
where:
Base-Base interactions energy: -1143.577
where: short stacking energy: -486.513
Base-Backbone interact. energy: 1.560
local terms energy: -494.693100
where:
bonds (distance) C4'-P energy: -95.709
bonds (distance) P-C4' energy: -99.236
flat angles C4'-P-C4' energy: -104.294
flat angles P-C4'-P energy: -69.199
tors. eta vs tors. theta energy: -126.255
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: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1429.267038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.267038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.267038 (E_RNA)
where:
Base-Base interactions energy: -963.627
where: short stacking energy: -428.934
Base-Backbone interact. energy: -1.073
local terms energy: -464.567763
where:
bonds (distance) C4'-P energy: -97.410
bonds (distance) P-C4' energy: -95.711
flat angles C4'-P-C4' energy: -105.533
flat angles P-C4'-P energy: -65.044
tors. eta vs tors. theta energy: -100.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1406.775969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.775969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.775969 (E_RNA)
where:
Base-Base interactions energy: -933.643
where: short stacking energy: -387.707
Base-Backbone interact. energy: 0.116
local terms energy: -473.248688
where:
bonds (distance) C4'-P energy: -100.666
bonds (distance) P-C4' energy: -95.302
flat angles C4'-P-C4' energy: -112.716
flat angles P-C4'-P energy: -52.136
tors. eta vs tors. theta energy: -112.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1325.944077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.944077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.944077 (E_RNA)
where:
Base-Base interactions energy: -898.837
where: short stacking energy: -388.204
Base-Backbone interact. energy: 4.925
local terms energy: -432.031670
where:
bonds (distance) C4'-P energy: -94.096
bonds (distance) P-C4' energy: -90.083
flat angles C4'-P-C4' energy: -99.045
flat angles P-C4'-P energy: -60.128
tors. eta vs tors. theta energy: -88.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1143.347811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.347811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.347811 (E_RNA)
where:
Base-Base interactions energy: -760.605
where: short stacking energy: -345.218
Base-Backbone interact. energy: 5.069
local terms energy: -387.812095
where:
bonds (distance) C4'-P energy: -82.258
bonds (distance) P-C4' energy: -89.411
flat angles C4'-P-C4' energy: -82.545
flat angles P-C4'-P energy: -52.679
tors. eta vs tors. theta energy: -80.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -771.084583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.084583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.084583 (E_RNA)
where:
Base-Base interactions energy: -432.278
where: short stacking energy: -191.996
Base-Backbone interact. energy: -1.343
local terms energy: -337.463716
where:
bonds (distance) C4'-P energy: -81.983
bonds (distance) P-C4' energy: -88.342
flat angles C4'-P-C4' energy: -96.407
flat angles P-C4'-P energy: -51.937
tors. eta vs tors. theta energy: -18.794
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: 10, replica: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -468.670484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.670484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.670484 (E_RNA)
where:
Base-Base interactions energy: -167.751
where: short stacking energy: -109.917
Base-Backbone interact. energy: 1.523
local terms energy: -302.443334
where:
bonds (distance) C4'-P energy: -97.268
bonds (distance) P-C4' energy: -114.535
flat angles C4'-P-C4' energy: -65.508
flat angles P-C4'-P energy: -42.979
tors. eta vs tors. theta energy: 17.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1834.397408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.397408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.397408 (E_RNA)
where:
Base-Base interactions energy: -1260.538
where: short stacking energy: -535.435
Base-Backbone interact. energy: -0.049
local terms energy: -573.810309
where:
bonds (distance) C4'-P energy: -112.081
bonds (distance) P-C4' energy: -106.796
flat angles C4'-P-C4' energy: -123.946
flat angles P-C4'-P energy: -82.446
tors. eta vs tors. theta energy: -148.542
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: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1813.966752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.966752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.966752 (E_RNA)
where:
Base-Base interactions energy: -1239.421
where: short stacking energy: -522.285
Base-Backbone interact. energy: -3.671
local terms energy: -570.874237
where:
bonds (distance) C4'-P energy: -106.342
bonds (distance) P-C4' energy: -115.232
flat angles C4'-P-C4' energy: -115.571
flat angles P-C4'-P energy: -87.429
tors. eta vs tors. theta energy: -146.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1688.421725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.421725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.421725 (E_RNA)
where:
Base-Base interactions energy: -1145.085
where: short stacking energy: -523.980
Base-Backbone interact. energy: -0.805
local terms energy: -542.532599
where:
bonds (distance) C4'-P energy: -96.444
bonds (distance) P-C4' energy: -103.225
flat angles C4'-P-C4' energy: -111.304
flat angles P-C4'-P energy: -84.395
tors. eta vs tors. theta energy: -147.165
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: 7
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1656.686048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.686048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.686048 (E_RNA)
where:
Base-Base interactions energy: -1143.510
where: short stacking energy: -470.587
Base-Backbone interact. energy: -2.662
local terms energy: -510.514523
where:
bonds (distance) C4'-P energy: -103.857
bonds (distance) P-C4' energy: -93.088
flat angles C4'-P-C4' energy: -102.974
flat angles P-C4'-P energy: -80.637
tors. eta vs tors. theta energy: -129.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1463.527981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.527981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.527981 (E_RNA)
where:
Base-Base interactions energy: -992.569
where: short stacking energy: -421.487
Base-Backbone interact. energy: -2.078
local terms energy: -468.880680
where:
bonds (distance) C4'-P energy: -91.385
bonds (distance) P-C4' energy: -97.875
flat angles C4'-P-C4' energy: -110.647
flat angles P-C4'-P energy: -64.174
tors. eta vs tors. theta energy: -104.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1409.064057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.064057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.064057 (E_RNA)
where:
Base-Base interactions energy: -933.146
where: short stacking energy: -414.743
Base-Backbone interact. energy: -0.000
local terms energy: -475.918252
where:
bonds (distance) C4'-P energy: -90.552
bonds (distance) P-C4' energy: -95.835
flat angles C4'-P-C4' energy: -105.449
flat angles P-C4'-P energy: -80.824
tors. eta vs tors. theta energy: -103.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1317.553407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.553407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.553407 (E_RNA)
where:
Base-Base interactions energy: -905.769
where: short stacking energy: -374.726
Base-Backbone interact. energy: -0.211
local terms energy: -411.573014
where:
bonds (distance) C4'-P energy: -67.411
bonds (distance) P-C4' energy: -109.344
flat angles C4'-P-C4' energy: -103.728
flat angles P-C4'-P energy: -59.003
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: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1115.688770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.688770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.688770 (E_RNA)
where:
Base-Base interactions energy: -725.062
where: short stacking energy: -312.591
Base-Backbone interact. energy: -0.707
local terms energy: -389.920631
where:
bonds (distance) C4'-P energy: -88.566
bonds (distance) P-C4' energy: -98.553
flat angles C4'-P-C4' energy: -98.307
flat angles P-C4'-P energy: -52.749
tors. eta vs tors. theta energy: -51.746
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: 9, replica: 3
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -839.197770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.197770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.197770 (E_RNA)
where:
Base-Base interactions energy: -500.036
where: short stacking energy: -234.087
Base-Backbone interact. energy: 3.682
local terms energy: -342.843701
where:
bonds (distance) C4'-P energy: -74.898
bonds (distance) P-C4' energy: -99.673
flat angles C4'-P-C4' energy: -94.581
flat angles P-C4'-P energy: -51.975
tors. eta vs tors. theta energy: -21.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -460.067391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.067391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.067391 (E_RNA)
where:
Base-Base interactions energy: -194.725
where: short stacking energy: -127.344
Base-Backbone interact. energy: -0.206
local terms energy: -265.136322
where:
bonds (distance) C4'-P energy: -74.341
bonds (distance) P-C4' energy: -94.323
flat angles C4'-P-C4' energy: -58.269
flat angles P-C4'-P energy: -52.798
tors. eta vs tors. theta energy: 14.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1873.224112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.224112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.224112 (E_RNA)
where:
Base-Base interactions energy: -1296.087
where: short stacking energy: -549.812
Base-Backbone interact. energy: -3.959
local terms energy: -573.177719
where:
bonds (distance) C4'-P energy: -102.378
bonds (distance) P-C4' energy: -106.916
flat angles C4'-P-C4' energy: -117.624
flat angles P-C4'-P energy: -79.149
tors. eta vs tors. theta energy: -167.110
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: 192
Temperature: 0.950000
Total energy: -1809.201224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.201224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.201224 (E_RNA)
where:
Base-Base interactions energy: -1239.963
where: short stacking energy: -518.430
Base-Backbone interact. energy: -1.360
local terms energy: -567.878599
where:
bonds (distance) C4'-P energy: -102.646
bonds (distance) P-C4' energy: -104.033
flat angles C4'-P-C4' energy: -118.247
flat angles P-C4'-P energy: -84.872
tors. eta vs tors. theta energy: -158.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1728.754792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.754792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.754792 (E_RNA)
where:
Base-Base interactions energy: -1163.798
where: short stacking energy: -540.871
Base-Backbone interact. energy: -0.660
local terms energy: -564.296469
where:
bonds (distance) C4'-P energy: -100.608
bonds (distance) P-C4' energy: -99.127
flat angles C4'-P-C4' energy: -126.746
flat angles P-C4'-P energy: -79.327
tors. eta vs tors. theta energy: -158.488
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: 7
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1680.565771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.565771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.565771 (E_RNA)
where:
Base-Base interactions energy: -1140.653
where: short stacking energy: -487.336
Base-Backbone interact. energy: -2.233
local terms energy: -537.679665
where:
bonds (distance) C4'-P energy: -96.449
bonds (distance) P-C4' energy: -97.672
flat angles C4'-P-C4' energy: -125.348
flat angles P-C4'-P energy: -74.401
tors. eta vs tors. theta energy: -143.809
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: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1461.880902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.880902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.880902 (E_RNA)
where:
Base-Base interactions energy: -976.349
where: short stacking energy: -414.368
Base-Backbone interact. energy: -0.414
local terms energy: -485.117943
where:
bonds (distance) C4'-P energy: -86.023
bonds (distance) P-C4' energy: -93.244
flat angles C4'-P-C4' energy: -116.267
flat angles P-C4'-P energy: -75.975
tors. eta vs tors. theta energy: -113.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1390.059316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.059316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.059316 (E_RNA)
where:
Base-Base interactions energy: -929.736
where: short stacking energy: -431.057
Base-Backbone interact. energy: -0.344
local terms energy: -459.979731
where:
bonds (distance) C4'-P energy: -91.210
bonds (distance) P-C4' energy: -98.216
flat angles C4'-P-C4' energy: -93.075
flat angles P-C4'-P energy: -62.232
tors. eta vs tors. theta energy: -115.246
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: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1306.488114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.488114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.488114 (E_RNA)
where:
Base-Base interactions energy: -882.221
where: short stacking energy: -365.983
Base-Backbone interact. energy: 4.364
local terms energy: -428.631091
where:
bonds (distance) C4'-P energy: -84.535
bonds (distance) P-C4' energy: -93.528
flat angles C4'-P-C4' energy: -104.640
flat angles P-C4'-P energy: -57.676
tors. eta vs tors. theta energy: -88.254
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: 9
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1160.591618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.591618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.591618 (E_RNA)
where:
Base-Base interactions energy: -744.341
where: short stacking energy: -329.000
Base-Backbone interact. energy: 1.298
local terms energy: -417.548423
where:
bonds (distance) C4'-P energy: -101.326
bonds (distance) P-C4' energy: -87.612
flat angles C4'-P-C4' energy: -104.671
flat angles P-C4'-P energy: -65.967
tors. eta vs tors. theta energy: -57.972
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: 3
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -811.328107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.328107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.328107 (E_RNA)
where:
Base-Base interactions energy: -468.006
where: short stacking energy: -219.634
Base-Backbone interact. energy: -1.332
local terms energy: -341.989317
where:
bonds (distance) C4'-P energy: -87.142
bonds (distance) P-C4' energy: -102.369
flat angles C4'-P-C4' energy: -68.815
flat angles P-C4'-P energy: -54.502
tors. eta vs tors. theta energy: -29.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -454.707233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.707233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.707233 (E_RNA)
where:
Base-Base interactions energy: -168.636
where: short stacking energy: -129.482
Base-Backbone interact. energy: 1.734
local terms energy: -287.804575
where:
bonds (distance) C4'-P energy: -91.297
bonds (distance) P-C4' energy: -91.715
flat angles C4'-P-C4' energy: -81.508
flat angles P-C4'-P energy: -44.494
tors. eta vs tors. theta energy: 21.210
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: 4
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1864.681038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.681038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.681038 (E_RNA)
where:
Base-Base interactions energy: -1284.068
where: short stacking energy: -555.360
Base-Backbone interact. energy: -4.081
local terms energy: -576.532127
where:
bonds (distance) C4'-P energy: -105.274
bonds (distance) P-C4' energy: -109.147
flat angles C4'-P-C4' energy: -119.346
flat angles P-C4'-P energy: -84.270
tors. eta vs tors. theta energy: -158.495
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: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1799.108842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.108842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.108842 (E_RNA)
where:
Base-Base interactions energy: -1237.820
where: short stacking energy: -538.665
Base-Backbone interact. energy: 0.704
local terms energy: -561.993406
where:
bonds (distance) C4'-P energy: -104.690
bonds (distance) P-C4' energy: -96.504
flat angles C4'-P-C4' energy: -131.191
flat angles P-C4'-P energy: -77.084
tors. eta vs tors. theta energy: -152.525
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: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1703.378858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.378858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.378858 (E_RNA)
where:
Base-Base interactions energy: -1136.303
where: short stacking energy: -501.307
Base-Backbone interact. energy: -4.442
local terms energy: -562.633006
where:
bonds (distance) C4'-P energy: -96.931
bonds (distance) P-C4' energy: -112.923
flat angles C4'-P-C4' energy: -130.665
flat angles P-C4'-P energy: -73.539
tors. eta vs tors. theta energy: -148.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1645.732985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.732985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.732985 (E_RNA)
where:
Base-Base interactions energy: -1120.323
where: short stacking energy: -471.704
Base-Backbone interact. energy: -3.173
local terms energy: -522.236690
where:
bonds (distance) C4'-P energy: -102.369
bonds (distance) P-C4' energy: -113.575
flat angles C4'-P-C4' energy: -110.569
flat angles P-C4'-P energy: -62.926
tors. eta vs tors. theta energy: -132.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1461.685612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.685612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.685612 (E_RNA)
where:
Base-Base interactions energy: -1010.255
where: short stacking energy: -408.529
Base-Backbone interact. energy: -0.609
local terms energy: -450.822430
where:
bonds (distance) C4'-P energy: -97.096
bonds (distance) P-C4' energy: -92.102
flat angles C4'-P-C4' energy: -91.184
flat angles P-C4'-P energy: -64.197
tors. eta vs tors. theta energy: -106.243
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: 6, replica: 6
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1430.052479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.052479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.052479 (E_RNA)
where:
Base-Base interactions energy: -941.453
where: short stacking energy: -396.869
Base-Backbone interact. energy: -0.919
local terms energy: -487.680610
where:
bonds (distance) C4'-P energy: -105.045
bonds (distance) P-C4' energy: -95.945
flat angles C4'-P-C4' energy: -109.672
flat angles P-C4'-P energy: -68.156
tors. eta vs tors. theta energy: -108.863
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: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1303.282593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.282593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.282593 (E_RNA)
where:
Base-Base interactions energy: -851.386
where: short stacking energy: -372.434
Base-Backbone interact. energy: -0.207
local terms energy: -451.690194
where:
bonds (distance) C4'-P energy: -95.553
bonds (distance) P-C4' energy: -89.714
flat angles C4'-P-C4' energy: -105.417
flat angles P-C4'-P energy: -68.936
tors. eta vs tors. theta energy: -92.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1211.006779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.006779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.006779 (E_RNA)
where:
Base-Base interactions energy: -841.271
where: short stacking energy: -346.755
Base-Backbone interact. energy: -1.014
local terms energy: -368.721876
where:
bonds (distance) C4'-P energy: -82.474
bonds (distance) P-C4' energy: -91.705
flat angles C4'-P-C4' energy: -80.191
flat angles P-C4'-P energy: -47.339
tors. eta vs tors. theta energy: -67.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -813.058537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.058537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.058537 (E_RNA)
where:
Base-Base interactions energy: -478.802
where: short stacking energy: -227.227
Base-Backbone interact. energy: 0.118
local terms energy: -334.374244
where:
bonds (distance) C4'-P energy: -79.667
bonds (distance) P-C4' energy: -93.668
flat angles C4'-P-C4' energy: -90.714
flat angles P-C4'-P energy: -56.455
tors. eta vs tors. theta energy: -13.870
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: 193
Temperature: 1.350000
Total energy: -418.773588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.773588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.773588 (E_RNA)
where:
Base-Base interactions energy: -162.537
where: short stacking energy: -148.889
Base-Backbone interact. energy: 0.497
local terms energy: -256.733293
where:
bonds (distance) C4'-P energy: -75.624
bonds (distance) P-C4' energy: -89.538
flat angles C4'-P-C4' energy: -72.119
flat angles P-C4'-P energy: -44.710
tors. eta vs tors. theta energy: 25.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1814.315836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.315836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.315836 (E_RNA)
where:
Base-Base interactions energy: -1245.562
where: short stacking energy: -508.264
Base-Backbone interact. energy: -0.172
local terms energy: -568.581588
where:
bonds (distance) C4'-P energy: -111.294
bonds (distance) P-C4' energy: -116.781
flat angles C4'-P-C4' energy: -122.614
flat angles P-C4'-P energy: -83.337
tors. eta vs tors. theta energy: -134.555
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: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1824.534723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.534723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.534723 (E_RNA)
where:
Base-Base interactions energy: -1284.387
where: short stacking energy: -533.346
Base-Backbone interact. energy: -3.334
local terms energy: -536.814133
where:
bonds (distance) C4'-P energy: -96.716
bonds (distance) P-C4' energy: -98.648
flat angles C4'-P-C4' energy: -124.411
flat angles P-C4'-P energy: -65.559
tors. eta vs tors. theta energy: -151.480
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: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1719.000662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.000662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.000662 (E_RNA)
where:
Base-Base interactions energy: -1146.485
where: short stacking energy: -524.792
Base-Backbone interact. energy: 0.943
local terms energy: -573.459050
where:
bonds (distance) C4'-P energy: -118.178
bonds (distance) P-C4' energy: -109.542
flat angles C4'-P-C4' energy: -116.577
flat angles P-C4'-P energy: -76.595
tors. eta vs tors. theta energy: -152.567
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: 7
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1637.088694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.088694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.088694 (E_RNA)
where:
Base-Base interactions energy: -1125.671
where: short stacking energy: -457.325
Base-Backbone interact. energy: -3.157
local terms energy: -508.260977
where:
bonds (distance) C4'-P energy: -88.865
bonds (distance) P-C4' energy: -103.006
flat angles C4'-P-C4' energy: -114.886
flat angles P-C4'-P energy: -80.009
tors. eta vs tors. theta energy: -121.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1427.664838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.664838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.664838 (E_RNA)
where:
Base-Base interactions energy: -975.972
where: short stacking energy: -427.240
Base-Backbone interact. energy: -3.024
local terms energy: -448.669150
where:
bonds (distance) C4'-P energy: -98.353
bonds (distance) P-C4' energy: -94.807
flat angles C4'-P-C4' energy: -91.330
flat angles P-C4'-P energy: -64.280
tors. eta vs tors. theta energy: -99.899
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: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1395.557498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.557498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.557498 (E_RNA)
where:
Base-Base interactions energy: -932.149
where: short stacking energy: -397.459
Base-Backbone interact. energy: -1.741
local terms energy: -461.667970
where:
bonds (distance) C4'-P energy: -84.819
bonds (distance) P-C4' energy: -99.922
flat angles C4'-P-C4' energy: -96.188
flat angles P-C4'-P energy: -75.465
tors. eta vs tors. theta energy: -105.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1260.036232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.036232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.036232 (E_RNA)
where:
Base-Base interactions energy: -849.615
where: short stacking energy: -347.414
Base-Backbone interact. energy: -1.761
local terms energy: -408.659834
where:
bonds (distance) C4'-P energy: -89.099
bonds (distance) P-C4' energy: -90.863
flat angles C4'-P-C4' energy: -89.385
flat angles P-C4'-P energy: -67.075
tors. eta vs tors. theta energy: -72.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1249.467691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.467691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.467691 (E_RNA)
where:
Base-Base interactions energy: -839.512
where: short stacking energy: -380.010
Base-Backbone interact. energy: -0.724
local terms energy: -409.232081
where:
bonds (distance) C4'-P energy: -79.694
bonds (distance) P-C4' energy: -81.155
flat angles C4'-P-C4' energy: -103.527
flat angles P-C4'-P energy: -53.060
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: 9, replica: 3
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -816.561081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.561081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.561081 (E_RNA)
where:
Base-Base interactions energy: -477.113
where: short stacking energy: -230.211
Base-Backbone interact. energy: 0.273
local terms energy: -339.720384
where:
bonds (distance) C4'-P energy: -79.301
bonds (distance) P-C4' energy: -89.257
flat angles C4'-P-C4' energy: -99.882
flat angles P-C4'-P energy: -48.878
tors. eta vs tors. theta energy: -22.402
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: 194
Temperature: 1.350000
Total energy: -417.690776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.690776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.690776 (E_RNA)
where:
Base-Base interactions energy: -140.159
where: short stacking energy: -110.956
Base-Backbone interact. energy: -0.485
local terms energy: -277.046467
where:
bonds (distance) C4'-P energy: -89.900
bonds (distance) P-C4' energy: -100.047
flat angles C4'-P-C4' energy: -70.584
flat angles P-C4'-P energy: -36.334
tors. eta vs tors. theta energy: 19.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1826.780212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.780212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.780212 (E_RNA)
where:
Base-Base interactions energy: -1260.900
where: short stacking energy: -532.044
Base-Backbone interact. energy: -1.298
local terms energy: -564.581420
where:
bonds (distance) C4'-P energy: -98.509
bonds (distance) P-C4' energy: -105.537
flat angles C4'-P-C4' energy: -128.310
flat angles P-C4'-P energy: -82.839
tors. eta vs tors. theta energy: -149.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1830.821697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.821697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.821697 (E_RNA)
where:
Base-Base interactions energy: -1280.595
where: short stacking energy: -535.536
Base-Backbone interact. energy: -6.074
local terms energy: -544.152863
where:
bonds (distance) C4'-P energy: -103.183
bonds (distance) P-C4' energy: -98.753
flat angles C4'-P-C4' energy: -116.604
flat angles P-C4'-P energy: -75.620
tors. eta vs tors. theta energy: -149.993
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: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1682.656966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.656966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.656966 (E_RNA)
where:
Base-Base interactions energy: -1131.147
where: short stacking energy: -493.722
Base-Backbone interact. energy: 1.334
local terms energy: -552.843387
where:
bonds (distance) C4'-P energy: -108.739
bonds (distance) P-C4' energy: -93.424
flat angles C4'-P-C4' energy: -126.642
flat angles P-C4'-P energy: -85.227
tors. eta vs tors. theta energy: -138.811
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: 7
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1638.615908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.615908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.615908 (E_RNA)
where:
Base-Base interactions energy: -1104.854
where: short stacking energy: -454.167
Base-Backbone interact. energy: -3.085
local terms energy: -530.677122
where:
bonds (distance) C4'-P energy: -98.319
bonds (distance) P-C4' energy: -113.125
flat angles C4'-P-C4' energy: -116.547
flat angles P-C4'-P energy: -81.879
tors. eta vs tors. theta energy: -120.807
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: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1451.560524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.560524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.560524 (E_RNA)
where:
Base-Base interactions energy: -964.290
where: short stacking energy: -420.887
Base-Backbone interact. energy: -1.250
local terms energy: -486.020627
where:
bonds (distance) C4'-P energy: -90.108
bonds (distance) P-C4' energy: -93.342
flat angles C4'-P-C4' energy: -116.878
flat angles P-C4'-P energy: -68.209
tors. eta vs tors. theta energy: -117.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1342.531515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.531515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.531515 (E_RNA)
where:
Base-Base interactions energy: -901.156
where: short stacking energy: -411.149
Base-Backbone interact. energy: -0.393
local terms energy: -440.982621
where:
bonds (distance) C4'-P energy: -99.101
bonds (distance) P-C4' energy: -82.457
flat angles C4'-P-C4' energy: -104.607
flat angles P-C4'-P energy: -61.014
tors. eta vs tors. theta energy: -93.803
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: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1322.311336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.311336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.311336 (E_RNA)
where:
Base-Base interactions energy: -876.732
where: short stacking energy: -380.409
Base-Backbone interact. energy: -3.221
local terms energy: -442.358134
where:
bonds (distance) C4'-P energy: -84.631
bonds (distance) P-C4' energy: -100.682
flat angles C4'-P-C4' energy: -100.190
flat angles P-C4'-P energy: -67.594
tors. eta vs tors. theta energy: -89.262
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: 195
Temperature: 1.250000
Total energy: -1256.745370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.745370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.745370 (E_RNA)
where:
Base-Base interactions energy: -848.035
where: short stacking energy: -365.730
Base-Backbone interact. energy: 0.829
local terms energy: -409.539795
where:
bonds (distance) C4'-P energy: -93.269
bonds (distance) P-C4' energy: -89.570
flat angles C4'-P-C4' energy: -91.026
flat angles P-C4'-P energy: -54.936
tors. eta vs tors. theta energy: -80.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -814.871476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.871476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.871476 (E_RNA)
where:
Base-Base interactions energy: -481.865
where: short stacking energy: -232.671
Base-Backbone interact. energy: 0.785
local terms energy: -333.791724
where:
bonds (distance) C4'-P energy: -95.322
bonds (distance) P-C4' energy: -93.860
flat angles C4'-P-C4' energy: -69.302
flat angles P-C4'-P energy: -47.054
tors. eta vs tors. theta energy: -28.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -428.631069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.631069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.631069 (E_RNA)
where:
Base-Base interactions energy: -163.438
where: short stacking energy: -143.292
Base-Backbone interact. energy: 0.632
local terms energy: -265.824148
where:
bonds (distance) C4'-P energy: -79.213
bonds (distance) P-C4' energy: -96.133
flat angles C4'-P-C4' energy: -64.150
flat angles P-C4'-P energy: -27.176
tors. eta vs tors. theta energy: 0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1838.638159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.638159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.638159 (E_RNA)
where:
Base-Base interactions energy: -1274.921
where: short stacking energy: -543.566
Base-Backbone interact. energy: 0.141
local terms energy: -563.858387
where:
bonds (distance) C4'-P energy: -108.627
bonds (distance) P-C4' energy: -111.049
flat angles C4'-P-C4' energy: -124.833
flat angles P-C4'-P energy: -78.469
tors. eta vs tors. theta energy: -140.880
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: 4
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1800.424553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.424553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.424553 (E_RNA)
where:
Base-Base interactions energy: -1240.485
where: short stacking energy: -516.775
Base-Backbone interact. energy: -3.528
local terms energy: -556.411441
where:
bonds (distance) C4'-P energy: -113.310
bonds (distance) P-C4' energy: -105.885
flat angles C4'-P-C4' energy: -126.283
flat angles P-C4'-P energy: -66.872
tors. eta vs tors. theta energy: -144.061
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: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1678.205743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.205743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.205743 (E_RNA)
where:
Base-Base interactions energy: -1136.213
where: short stacking energy: -491.029
Base-Backbone interact. energy: -1.325
local terms energy: -540.667898
where:
bonds (distance) C4'-P energy: -106.101
bonds (distance) P-C4' energy: -100.629
flat angles C4'-P-C4' energy: -118.643
flat angles P-C4'-P energy: -82.009
tors. eta vs tors. theta energy: -133.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1653.793170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.793170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.793170 (E_RNA)
where:
Base-Base interactions energy: -1129.732
where: short stacking energy: -485.332
Base-Backbone interact. energy: -1.523
local terms energy: -522.538296
where:
bonds (distance) C4'-P energy: -82.441
bonds (distance) P-C4' energy: -92.392
flat angles C4'-P-C4' energy: -126.768
flat angles P-C4'-P energy: -83.423
tors. eta vs tors. theta energy: -137.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1438.706373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.706373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.706373 (E_RNA)
where:
Base-Base interactions energy: -966.545
where: short stacking energy: -426.884
Base-Backbone interact. energy: -2.832
local terms energy: -469.329381
where:
bonds (distance) C4'-P energy: -101.790
bonds (distance) P-C4' energy: -89.987
flat angles C4'-P-C4' energy: -114.092
flat angles P-C4'-P energy: -62.003
tors. eta vs tors. theta energy: -101.457
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: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1443.648513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.648513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.648513 (E_RNA)
where:
Base-Base interactions energy: -955.169
where: short stacking energy: -401.212
Base-Backbone interact. energy: -1.744
local terms energy: -486.735796
where:
bonds (distance) C4'-P energy: -88.089
bonds (distance) P-C4' energy: -112.257
flat angles C4'-P-C4' energy: -107.281
flat angles P-C4'-P energy: -75.377
tors. eta vs tors. theta energy: -103.733
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: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1359.235967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.235967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.235967 (E_RNA)
where:
Base-Base interactions energy: -922.618
where: short stacking energy: -376.127
Base-Backbone interact. energy: -1.643
local terms energy: -434.975430
where:
bonds (distance) C4'-P energy: -94.152
bonds (distance) P-C4' energy: -101.666
flat angles C4'-P-C4' energy: -99.687
flat angles P-C4'-P energy: -53.366
tors. eta vs tors. theta energy: -86.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1241.386933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.386933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.386933 (E_RNA)
where:
Base-Base interactions energy: -833.529
where: short stacking energy: -353.263
Base-Backbone interact. energy: -2.196
local terms energy: -405.661457
where:
bonds (distance) C4'-P energy: -75.286
bonds (distance) P-C4' energy: -80.642
flat angles C4'-P-C4' energy: -103.848
flat angles P-C4'-P energy: -57.649
tors. eta vs tors. theta energy: -88.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -889.877169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.877169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.877169 (E_RNA)
where:
Base-Base interactions energy: -524.879
where: short stacking energy: -257.626
Base-Backbone interact. energy: -3.105
local terms energy: -361.893453
where:
bonds (distance) C4'-P energy: -93.108
bonds (distance) P-C4' energy: -86.641
flat angles C4'-P-C4' energy: -81.834
flat angles P-C4'-P energy: -59.810
tors. eta vs tors. theta energy: -40.499
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: 196
Temperature: 1.350000
Total energy: -403.477680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.477680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.477680 (E_RNA)
where:
Base-Base interactions energy: -121.060
where: short stacking energy: -91.568
Base-Backbone interact. energy: -0.093
local terms energy: -282.324171
where:
bonds (distance) C4'-P energy: -94.510
bonds (distance) P-C4' energy: -107.979
flat angles C4'-P-C4' energy: -66.152
flat angles P-C4'-P energy: -33.348
tors. eta vs tors. theta energy: 19.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1833.194141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.194141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.194141 (E_RNA)
where:
Base-Base interactions energy: -1285.382
where: short stacking energy: -525.555
Base-Backbone interact. energy: -2.496
local terms energy: -545.316115
where:
bonds (distance) C4'-P energy: -95.654
bonds (distance) P-C4' energy: -89.993
flat angles C4'-P-C4' energy: -119.980
flat angles P-C4'-P energy: -90.623
tors. eta vs tors. theta energy: -149.066
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: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1818.533612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.533612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.533612 (E_RNA)
where:
Base-Base interactions energy: -1268.827
where: short stacking energy: -546.010
Base-Backbone interact. energy: -4.007
local terms energy: -545.699526
where:
bonds (distance) C4'-P energy: -90.768
bonds (distance) P-C4' energy: -112.677
flat angles C4'-P-C4' energy: -121.851
flat angles P-C4'-P energy: -66.623
tors. eta vs tors. theta energy: -153.781
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: 197
Temperature: 1.000000
Total energy: -1681.622116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.622116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.622116 (E_RNA)
where:
Base-Base interactions energy: -1147.565
where: short stacking energy: -530.623
Base-Backbone interact. energy: -0.297
local terms energy: -533.759487
where:
bonds (distance) C4'-P energy: -96.732
bonds (distance) P-C4' energy: -104.513
flat angles C4'-P-C4' energy: -112.541
flat angles P-C4'-P energy: -70.061
tors. eta vs tors. theta energy: -149.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1645.420066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.420066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.420066 (E_RNA)
where:
Base-Base interactions energy: -1122.476
where: short stacking energy: -481.474
Base-Backbone interact. energy: -2.122
local terms energy: -520.821973
where:
bonds (distance) C4'-P energy: -97.174
bonds (distance) P-C4' energy: -103.128
flat angles C4'-P-C4' energy: -106.952
flat angles P-C4'-P energy: -78.571
tors. eta vs tors. theta energy: -134.997
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: 5, replica: 9
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1434.323322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.323322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.323322 (E_RNA)
where:
Base-Base interactions energy: -978.682
where: short stacking energy: -439.470
Base-Backbone interact. energy: -1.806
local terms energy: -453.834888
where:
bonds (distance) C4'-P energy: -82.625
bonds (distance) P-C4' energy: -107.954
flat angles C4'-P-C4' energy: -87.838
flat angles P-C4'-P energy: -62.750
tors. eta vs tors. theta energy: -112.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1455.601329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.601329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.601329 (E_RNA)
where:
Base-Base interactions energy: -993.011
where: short stacking energy: -438.209
Base-Backbone interact. energy: -1.060
local terms energy: -461.530924
where:
bonds (distance) C4'-P energy: -75.122
bonds (distance) P-C4' energy: -99.071
flat angles C4'-P-C4' energy: -111.034
flat angles P-C4'-P energy: -69.599
tors. eta vs tors. theta energy: -106.706
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: 5
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1357.192579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.192579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.192579 (E_RNA)
where:
Base-Base interactions energy: -905.043
where: short stacking energy: -376.008
Base-Backbone interact. energy: -1.965
local terms energy: -450.184429
where:
bonds (distance) C4'-P energy: -102.996
bonds (distance) P-C4' energy: -96.769
flat angles C4'-P-C4' energy: -96.353
flat angles P-C4'-P energy: -62.229
tors. eta vs tors. theta energy: -91.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1218.869732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.869732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.869732 (E_RNA)
where:
Base-Base interactions energy: -822.759
where: short stacking energy: -347.077
Base-Backbone interact. energy: -0.468
local terms energy: -395.642956
where:
bonds (distance) C4'-P energy: -85.665
bonds (distance) P-C4' energy: -81.171
flat angles C4'-P-C4' energy: -86.079
flat angles P-C4'-P energy: -58.922
tors. eta vs tors. theta energy: -83.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -849.560802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.560802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.560802 (E_RNA)
where:
Base-Base interactions energy: -499.078
where: short stacking energy: -235.022
Base-Backbone interact. energy: 4.322
local terms energy: -354.804759
where:
bonds (distance) C4'-P energy: -80.019
bonds (distance) P-C4' energy: -99.870
flat angles C4'-P-C4' energy: -86.161
flat angles P-C4'-P energy: -52.908
tors. eta vs tors. theta energy: -35.847
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: 10, replica: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -400.413613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.413613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.413613 (E_RNA)
where:
Base-Base interactions energy: -122.191
where: short stacking energy: -103.272
Base-Backbone interact. energy: -1.830
local terms energy: -276.392324
where:
bonds (distance) C4'-P energy: -81.765
bonds (distance) P-C4' energy: -96.400
flat angles C4'-P-C4' energy: -83.967
flat angles P-C4'-P energy: -34.640
tors. eta vs tors. theta energy: 20.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1826.979703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.979703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.979703 (E_RNA)
where:
Base-Base interactions energy: -1252.843
where: short stacking energy: -525.525
Base-Backbone interact. energy: -3.143
local terms energy: -570.993909
where:
bonds (distance) C4'-P energy: -98.851
bonds (distance) P-C4' energy: -111.433
flat angles C4'-P-C4' energy: -133.761
flat angles P-C4'-P energy: -75.278
tors. eta vs tors. theta energy: -151.670
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: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1827.831187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.831187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.831187 (E_RNA)
where:
Base-Base interactions energy: -1252.716
where: short stacking energy: -536.986
Base-Backbone interact. energy: -1.579
local terms energy: -573.536090
where:
bonds (distance) C4'-P energy: -110.012
bonds (distance) P-C4' energy: -108.424
flat angles C4'-P-C4' energy: -123.307
flat angles P-C4'-P energy: -75.777
tors. eta vs tors. theta energy: -156.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1706.664565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.664565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.664565 (E_RNA)
where:
Base-Base interactions energy: -1140.494
where: short stacking energy: -521.434
Base-Backbone interact. energy: -4.555
local terms energy: -561.616506
where:
bonds (distance) C4'-P energy: -114.231
bonds (distance) P-C4' energy: -109.655
flat angles C4'-P-C4' energy: -115.900
flat angles P-C4'-P energy: -76.722
tors. eta vs tors. theta energy: -145.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1615.200332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.200332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.200332 (E_RNA)
where:
Base-Base interactions energy: -1098.944
where: short stacking energy: -459.012
Base-Backbone interact. energy: -2.979
local terms energy: -513.276874
where:
bonds (distance) C4'-P energy: -95.204
bonds (distance) P-C4' energy: -108.900
flat angles C4'-P-C4' energy: -106.647
flat angles P-C4'-P energy: -73.873
tors. eta vs tors. theta energy: -128.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1480.988840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.988840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.988840 (E_RNA)
where:
Base-Base interactions energy: -983.317
where: short stacking energy: -425.926
Base-Backbone interact. energy: -0.898
local terms energy: -496.774029
where:
bonds (distance) C4'-P energy: -96.721
bonds (distance) P-C4' energy: -105.711
flat angles C4'-P-C4' energy: -95.497
flat angles P-C4'-P energy: -77.055
tors. eta vs tors. theta energy: -121.789
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: 6, replica: 9
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1366.242733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.242733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.242733 (E_RNA)
where:
Base-Base interactions energy: -917.121
where: short stacking energy: -397.302
Base-Backbone interact. energy: -1.496
local terms energy: -447.625874
where:
bonds (distance) C4'-P energy: -84.340
bonds (distance) P-C4' energy: -90.268
flat angles C4'-P-C4' energy: -107.519
flat angles P-C4'-P energy: -72.607
tors. eta vs tors. theta energy: -92.892
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: 198
Temperature: 1.200000
Total energy: -1344.365255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.365255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.365255 (E_RNA)
where:
Base-Base interactions energy: -898.299
where: short stacking energy: -368.007
Base-Backbone interact. energy: 1.200
local terms energy: -447.266525
where:
bonds (distance) C4'-P energy: -98.537
bonds (distance) P-C4' energy: -100.688
flat angles C4'-P-C4' energy: -99.230
flat angles P-C4'-P energy: -44.488
tors. eta vs tors. theta energy: -104.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1211.467477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.467477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.467477 (E_RNA)
where:
Base-Base interactions energy: -794.024
where: short stacking energy: -340.512
Base-Backbone interact. energy: -1.596
local terms energy: -415.847282
where:
bonds (distance) C4'-P energy: -91.051
bonds (distance) P-C4' energy: -111.817
flat angles C4'-P-C4' energy: -84.489
flat angles P-C4'-P energy: -47.109
tors. eta vs tors. theta energy: -81.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -880.938651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.938651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.938651 (E_RNA)
where:
Base-Base interactions energy: -520.542
where: short stacking energy: -250.208
Base-Backbone interact. energy: -2.003
local terms energy: -358.394046
where:
bonds (distance) C4'-P energy: -99.897
bonds (distance) P-C4' energy: -95.288
flat angles C4'-P-C4' energy: -88.598
flat angles P-C4'-P energy: -41.014
tors. eta vs tors. theta energy: -33.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -438.212076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.212076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.212076 (E_RNA)
where:
Base-Base interactions energy: -144.922
where: short stacking energy: -116.629
Base-Backbone interact. energy: -1.990
local terms energy: -291.300515
where:
bonds (distance) C4'-P energy: -102.624
bonds (distance) P-C4' energy: -87.874
flat angles C4'-P-C4' energy: -67.998
flat angles P-C4'-P energy: -45.848
tors. eta vs tors. theta energy: 13.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1821.765816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.765816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.765816 (E_RNA)
where:
Base-Base interactions energy: -1230.425
where: short stacking energy: -540.147
Base-Backbone interact. energy: -2.975
local terms energy: -588.366603
where:
bonds (distance) C4'-P energy: -110.517
bonds (distance) P-C4' energy: -110.404
flat angles C4'-P-C4' energy: -129.488
flat angles P-C4'-P energy: -80.102
tors. eta vs tors. theta energy: -157.855
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: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1822.266356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.266356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.266356 (E_RNA)
where:
Base-Base interactions energy: -1241.064
where: short stacking energy: -543.791
Base-Backbone interact. energy: -1.675
local terms energy: -579.527775
where:
bonds (distance) C4'-P energy: -103.880
bonds (distance) P-C4' energy: -113.750
flat angles C4'-P-C4' energy: -125.938
flat angles P-C4'-P energy: -78.732
tors. eta vs tors. theta energy: -157.227
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: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1651.299782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.299782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.299782 (E_RNA)
where:
Base-Base interactions energy: -1124.833
where: short stacking energy: -482.007
Base-Backbone interact. energy: -2.645
local terms energy: -523.821820
where:
bonds (distance) C4'-P energy: -99.765
bonds (distance) P-C4' energy: -91.120
flat angles C4'-P-C4' energy: -115.213
flat angles P-C4'-P energy: -72.690
tors. eta vs tors. theta energy: -145.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1668.685262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.685262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.685262 (E_RNA)
where:
Base-Base interactions energy: -1153.550
where: short stacking energy: -492.295
Base-Backbone interact. energy: -1.075
local terms energy: -514.059598
where:
bonds (distance) C4'-P energy: -100.262
bonds (distance) P-C4' energy: -106.263
flat angles C4'-P-C4' energy: -103.862
flat angles P-C4'-P energy: -72.070
tors. eta vs tors. theta energy: -131.603
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: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1503.479700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.479700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.479700 (E_RNA)
where:
Base-Base interactions energy: -1027.182
where: short stacking energy: -446.257
Base-Backbone interact. energy: 2.959
local terms energy: -479.256848
where:
bonds (distance) C4'-P energy: -90.913
bonds (distance) P-C4' energy: -94.181
flat angles C4'-P-C4' energy: -119.688
flat angles P-C4'-P energy: -63.942
tors. eta vs tors. theta energy: -110.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1375.490760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.490760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.490760 (E_RNA)
where:
Base-Base interactions energy: -918.304
where: short stacking energy: -375.459
Base-Backbone interact. energy: -4.698
local terms energy: -452.488985
where:
bonds (distance) C4'-P energy: -90.340
bonds (distance) P-C4' energy: -92.975
flat angles C4'-P-C4' energy: -104.611
flat angles P-C4'-P energy: -66.864
tors. eta vs tors. theta energy: -97.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1321.220728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.220728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.220728 (E_RNA)
where:
Base-Base interactions energy: -875.264
where: short stacking energy: -388.875
Base-Backbone interact. energy: -0.823
local terms energy: -445.133562
where:
bonds (distance) C4'-P energy: -91.746
bonds (distance) P-C4' energy: -90.113
flat angles C4'-P-C4' energy: -91.631
flat angles P-C4'-P energy: -68.220
tors. eta vs tors. theta energy: -103.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1225.668314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.668314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.668314 (E_RNA)
where:
Base-Base interactions energy: -807.126
where: short stacking energy: -350.601
Base-Backbone interact. energy: 2.915
local terms energy: -421.457151
where:
bonds (distance) C4'-P energy: -84.944
bonds (distance) P-C4' energy: -97.597
flat angles C4'-P-C4' energy: -92.767
flat angles P-C4'-P energy: -63.056
tors. eta vs tors. theta energy: -83.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -863.861847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.861847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.861847 (E_RNA)
where:
Base-Base interactions energy: -491.682
where: short stacking energy: -228.649
Base-Backbone interact. energy: 0.598
local terms energy: -372.777965
where:
bonds (distance) C4'-P energy: -95.740
bonds (distance) P-C4' energy: -103.118
flat angles C4'-P-C4' energy: -83.119
flat angles P-C4'-P energy: -54.688
tors. eta vs tors. theta energy: -36.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -408.491790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.491790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.491790 (E_RNA)
where:
Base-Base interactions energy: -114.612
where: short stacking energy: -106.390
Base-Backbone interact. energy: 1.885
local terms energy: -295.764842
where:
bonds (distance) C4'-P energy: -96.695
bonds (distance) P-C4' energy: -92.292
flat angles C4'-P-C4' energy: -68.894
flat angles P-C4'-P energy: -49.762
tors. eta vs tors. theta energy: 11.879
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: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1839.637833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.637833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.637833 (E_RNA)
where:
Base-Base interactions energy: -1273.695
where: short stacking energy: -538.746
Base-Backbone interact. energy: -1.969
local terms energy: -563.974641
where:
bonds (distance) C4'-P energy: -90.951
bonds (distance) P-C4' energy: -103.500
flat angles C4'-P-C4' energy: -124.899
flat angles P-C4'-P energy: -82.786
tors. eta vs tors. theta energy: -161.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1797.277940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.277940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.277940 (E_RNA)
where:
Base-Base interactions energy: -1232.583
where: short stacking energy: -522.803
Base-Backbone interact. energy: -0.670
local terms energy: -564.024811
where:
bonds (distance) C4'-P energy: -110.881
bonds (distance) P-C4' energy: -111.606
flat angles C4'-P-C4' energy: -121.961
flat angles P-C4'-P energy: -69.080
tors. eta vs tors. theta energy: -150.497
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: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1673.343705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.343705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.343705 (E_RNA)
where:
Base-Base interactions energy: -1136.434
where: short stacking energy: -503.669
Base-Backbone interact. energy: -2.566
local terms energy: -534.344019
where:
bonds (distance) C4'-P energy: -117.774
bonds (distance) P-C4' energy: -91.952
flat angles C4'-P-C4' energy: -122.646
flat angles P-C4'-P energy: -70.679
tors. eta vs tors. theta energy: -131.292
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: 4, replica: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1588.387021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.387021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.387021 (E_RNA)
where:
Base-Base interactions energy: -1067.365
where: short stacking energy: -464.023
Base-Backbone interact. energy: 0.618
local terms energy: -521.639559
where:
bonds (distance) C4'-P energy: -95.817
bonds (distance) P-C4' energy: -107.450
flat angles C4'-P-C4' energy: -124.350
flat angles P-C4'-P energy: -69.441
tors. eta vs tors. theta energy: -124.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1500.319477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.319477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.319477 (E_RNA)
where:
Base-Base interactions energy: -1014.598
where: short stacking energy: -456.888
Base-Backbone interact. energy: -0.192
local terms energy: -485.529849
where:
bonds (distance) C4'-P energy: -70.941
bonds (distance) P-C4' energy: -108.577
flat angles C4'-P-C4' energy: -113.545
flat angles P-C4'-P energy: -74.136
tors. eta vs tors. theta energy: -118.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1348.767734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.767734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.767734 (E_RNA)
where:
Base-Base interactions energy: -892.168
where: short stacking energy: -389.839
Base-Backbone interact. energy: -1.907
local terms energy: -454.692192
where:
bonds (distance) C4'-P energy: -78.494
bonds (distance) P-C4' energy: -96.559
flat angles C4'-P-C4' energy: -105.123
flat angles P-C4'-P energy: -79.158
tors. eta vs tors. theta energy: -95.358
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: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1349.667959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.667959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.667959 (E_RNA)
where:
Base-Base interactions energy: -908.614
where: short stacking energy: -386.055
Base-Backbone interact. energy: 5.766
local terms energy: -446.820056
where:
bonds (distance) C4'-P energy: -85.159
bonds (distance) P-C4' energy: -92.788
flat angles C4'-P-C4' energy: -103.593
flat angles P-C4'-P energy: -73.132
tors. eta vs tors. theta energy: -92.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1219.415955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.415955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.415955 (E_RNA)
where:
Base-Base interactions energy: -814.941
where: short stacking energy: -331.067
Base-Backbone interact. energy: 0.238
local terms energy: -404.712763
where:
bonds (distance) C4'-P energy: -79.336
bonds (distance) P-C4' energy: -101.509
flat angles C4'-P-C4' energy: -87.763
flat angles P-C4'-P energy: -62.225
tors. eta vs tors. theta energy: -73.880
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: 3
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -817.676622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.676622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.676622 (E_RNA)
where:
Base-Base interactions energy: -476.765
where: short stacking energy: -227.725
Base-Backbone interact. energy: -2.642
local terms energy: -338.269594
where:
bonds (distance) C4'-P energy: -89.133
bonds (distance) P-C4' energy: -87.610
flat angles C4'-P-C4' energy: -96.383
flat angles P-C4'-P energy: -40.632
tors. eta vs tors. theta energy: -24.511
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: 200
Temperature: 1.350000
Total energy: -435.950065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.950065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.950065 (E_RNA)
where:
Base-Base interactions energy: -147.193
where: short stacking energy: -115.813
Base-Backbone interact. energy: -1.557
local terms energy: -287.200024
where:
bonds (distance) C4'-P energy: -88.165
bonds (distance) P-C4' energy: -80.657
flat angles C4'-P-C4' energy: -85.781
flat angles P-C4'-P energy: -45.402
tors. eta vs tors. theta energy: 12.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1826.829017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.829017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.829017 (E_RNA)
where:
Base-Base interactions energy: -1266.365
where: short stacking energy: -552.838
Base-Backbone interact. energy: 1.395
local terms energy: -561.859846
where:
bonds (distance) C4'-P energy: -109.926
bonds (distance) P-C4' energy: -103.581
flat angles C4'-P-C4' energy: -121.663
flat angles P-C4'-P energy: -70.311
tors. eta vs tors. theta energy: -156.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1824.292982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.292982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.292982 (E_RNA)
where:
Base-Base interactions energy: -1262.876
where: short stacking energy: -537.131
Base-Backbone interact. energy: -4.188
local terms energy: -557.229111
where:
bonds (distance) C4'-P energy: -105.657
bonds (distance) P-C4' energy: -102.392
flat angles C4'-P-C4' energy: -117.192
flat angles P-C4'-P energy: -80.560
tors. eta vs tors. theta energy: -151.428
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: 7
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1681.843780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.843780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.843780 (E_RNA)
where:
Base-Base interactions energy: -1167.162
where: short stacking energy: -503.066
Base-Backbone interact. energy: -1.923
local terms energy: -512.758438
where:
bonds (distance) C4'-P energy: -94.080
bonds (distance) P-C4' energy: -102.269
flat angles C4'-P-C4' energy: -104.618
flat angles P-C4'-P energy: -77.703
tors. eta vs tors. theta energy: -134.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1585.667096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.667096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.667096 (E_RNA)
where:
Base-Base interactions energy: -1078.464
where: short stacking energy: -451.687
Base-Backbone interact. energy: 0.720
local terms energy: -507.922766
where:
bonds (distance) C4'-P energy: -86.372
bonds (distance) P-C4' energy: -110.593
flat angles C4'-P-C4' energy: -102.656
flat angles P-C4'-P energy: -75.946
tors. eta vs tors. theta energy: -132.356
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: 6
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1481.929514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.929514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.929514 (E_RNA)
where:
Base-Base interactions energy: -985.250
where: short stacking energy: -426.033
Base-Backbone interact. energy: -2.042
local terms energy: -494.637463
where:
bonds (distance) C4'-P energy: -100.340
bonds (distance) P-C4' energy: -101.127
flat angles C4'-P-C4' energy: -94.567
flat angles P-C4'-P energy: -76.605
tors. eta vs tors. theta energy: -121.998
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: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1396.417305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.417305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.417305 (E_RNA)
where:
Base-Base interactions energy: -936.625
where: short stacking energy: -436.101
Base-Backbone interact. energy: -0.498
local terms energy: -459.294370
where:
bonds (distance) C4'-P energy: -80.847
bonds (distance) P-C4' energy: -93.446
flat angles C4'-P-C4' energy: -118.586
flat angles P-C4'-P energy: -60.399
tors. eta vs tors. theta energy: -106.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1325.219319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.219319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.219319 (E_RNA)
where:
Base-Base interactions energy: -889.969
where: short stacking energy: -367.385
Base-Backbone interact. energy: -1.302
local terms energy: -433.948440
where:
bonds (distance) C4'-P energy: -90.646
bonds (distance) P-C4' energy: -93.875
flat angles C4'-P-C4' energy: -95.674
flat angles P-C4'-P energy: -64.930
tors. eta vs tors. theta energy: -88.824
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: 8
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1188.961423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.961423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.961423 (E_RNA)
where:
Base-Base interactions energy: -775.420
where: short stacking energy: -308.844
Base-Backbone interact. energy: -2.082
local terms energy: -411.458986
where:
bonds (distance) C4'-P energy: -89.185
bonds (distance) P-C4' energy: -103.377
flat angles C4'-P-C4' energy: -76.366
flat angles P-C4'-P energy: -71.382
tors. eta vs tors. theta energy: -71.150
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: 9, replica: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -869.628881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.628881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.628881 (E_RNA)
where:
Base-Base interactions energy: -510.165
where: short stacking energy: -211.463
Base-Backbone interact. energy: 3.484
local terms energy: -362.947549
where:
bonds (distance) C4'-P energy: -85.851
bonds (distance) P-C4' energy: -97.568
flat angles C4'-P-C4' energy: -93.156
flat angles P-C4'-P energy: -59.305
tors. eta vs tors. theta energy: -27.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -424.650836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.650836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.650836 (E_RNA)
where:
Base-Base interactions energy: -162.407
where: short stacking energy: -124.996
Base-Backbone interact. energy: -0.820
local terms energy: -261.423939
where:
bonds (distance) C4'-P energy: -86.960
bonds (distance) P-C4' energy: -85.660
flat angles C4'-P-C4' energy: -81.001
flat angles P-C4'-P energy: -27.207
tors. eta vs tors. theta energy: 19.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1884.631343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.631343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.631343 (E_RNA)
where:
Base-Base interactions energy: -1296.845
where: short stacking energy: -546.834
Base-Backbone interact. energy: -3.422
local terms energy: -584.365015
where:
bonds (distance) C4'-P energy: -110.167
bonds (distance) P-C4' energy: -108.427
flat angles C4'-P-C4' energy: -117.782
flat angles P-C4'-P energy: -85.843
tors. eta vs tors. theta energy: -162.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1787.053557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.053557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.053557 (E_RNA)
where:
Base-Base interactions energy: -1244.828
where: short stacking energy: -517.235
Base-Backbone interact. energy: -0.116
local terms energy: -542.109095
where:
bonds (distance) C4'-P energy: -109.856
bonds (distance) P-C4' energy: -105.366
flat angles C4'-P-C4' energy: -111.158
flat angles P-C4'-P energy: -71.102
tors. eta vs tors. theta energy: -144.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1696.966239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.966239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.966239 (E_RNA)
where:
Base-Base interactions energy: -1165.878
where: short stacking energy: -500.422
Base-Backbone interact. energy: -2.573
local terms energy: -528.515179
where:
bonds (distance) C4'-P energy: -95.158
bonds (distance) P-C4' energy: -104.965
flat angles C4'-P-C4' energy: -103.790
flat angles P-C4'-P energy: -78.362
tors. eta vs tors. theta energy: -146.239
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: 4, replica: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1600.179592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.179592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.179592 (E_RNA)
where:
Base-Base interactions energy: -1113.322
where: short stacking energy: -466.470
Base-Backbone interact. energy: 0.730
local terms energy: -487.587822
where:
bonds (distance) C4'-P energy: -89.473
bonds (distance) P-C4' energy: -100.036
flat angles C4'-P-C4' energy: -107.163
flat angles P-C4'-P energy: -72.426
tors. eta vs tors. theta energy: -118.490
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: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1526.462508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.462508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.462508 (E_RNA)
where:
Base-Base interactions energy: -1034.470
where: short stacking energy: -443.102
Base-Backbone interact. energy: -1.848
local terms energy: -490.144609
where:
bonds (distance) C4'-P energy: -101.845
bonds (distance) P-C4' energy: -95.500
flat angles C4'-P-C4' energy: -102.680
flat angles P-C4'-P energy: -70.162
tors. eta vs tors. theta energy: -119.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1441.324253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.324253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.324253 (E_RNA)
where:
Base-Base interactions energy: -989.607
where: short stacking energy: -403.398
Base-Backbone interact. energy: -3.382
local terms energy: -448.335166
where:
bonds (distance) C4'-P energy: -85.397
bonds (distance) P-C4' energy: -88.625
flat angles C4'-P-C4' energy: -107.506
flat angles P-C4'-P energy: -71.052
tors. eta vs tors. theta energy: -95.755
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: 202
Temperature: 1.200000
Total energy: -1347.347177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.347177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.347177 (E_RNA)
where:
Base-Base interactions energy: -904.420
where: short stacking energy: -380.448
Base-Backbone interact. energy: -0.300
local terms energy: -442.626965
where:
bonds (distance) C4'-P energy: -100.638
bonds (distance) P-C4' energy: -89.051
flat angles C4'-P-C4' energy: -102.230
flat angles P-C4'-P energy: -61.335
tors. eta vs tors. theta energy: -89.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1187.655951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.655951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.655951 (E_RNA)
where:
Base-Base interactions energy: -765.722
where: short stacking energy: -338.409
Base-Backbone interact. energy: -3.983
local terms energy: -417.951390
where:
bonds (distance) C4'-P energy: -84.702
bonds (distance) P-C4' energy: -94.857
flat angles C4'-P-C4' energy: -92.166
flat angles P-C4'-P energy: -58.627
tors. eta vs tors. theta energy: -87.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -911.447810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.447810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.447810 (E_RNA)
where:
Base-Base interactions energy: -561.554
where: short stacking energy: -248.449
Base-Backbone interact. energy: -3.714
local terms energy: -346.179648
where:
bonds (distance) C4'-P energy: -86.450
bonds (distance) P-C4' energy: -92.589
flat angles C4'-P-C4' energy: -78.857
flat angles P-C4'-P energy: -51.801
tors. eta vs tors. theta energy: -36.482
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: 202
Temperature: 1.350000
Total energy: -421.681143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.681143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.681143 (E_RNA)
where:
Base-Base interactions energy: -129.350
where: short stacking energy: -101.436
Base-Backbone interact. energy: 0.703
local terms energy: -293.034185
where:
bonds (distance) C4'-P energy: -89.603
bonds (distance) P-C4' energy: -97.085
flat angles C4'-P-C4' energy: -75.523
flat angles P-C4'-P energy: -51.924
tors. eta vs tors. theta energy: 21.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1846.618996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.618996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.618996 (E_RNA)
where:
Base-Base interactions energy: -1287.644
where: short stacking energy: -553.566
Base-Backbone interact. energy: -1.446
local terms energy: -557.529485
where:
bonds (distance) C4'-P energy: -117.510
bonds (distance) P-C4' energy: -91.238
flat angles C4'-P-C4' energy: -121.079
flat angles P-C4'-P energy: -77.486
tors. eta vs tors. theta energy: -150.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1802.395955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.395955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.395955 (E_RNA)
where:
Base-Base interactions energy: -1270.193
where: short stacking energy: -540.598
Base-Backbone interact. energy: -1.913
local terms energy: -530.289724
where:
bonds (distance) C4'-P energy: -93.798
bonds (distance) P-C4' energy: -102.081
flat angles C4'-P-C4' energy: -118.305
flat angles P-C4'-P energy: -68.685
tors. eta vs tors. theta energy: -147.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1729.051768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.051768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.051768 (E_RNA)
where:
Base-Base interactions energy: -1188.280
where: short stacking energy: -513.676
Base-Backbone interact. energy: 1.063
local terms energy: -541.834773
where:
bonds (distance) C4'-P energy: -104.919
bonds (distance) P-C4' energy: -101.418
flat angles C4'-P-C4' energy: -114.064
flat angles P-C4'-P energy: -75.601
tors. eta vs tors. theta energy: -145.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1620.156450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.156450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.156450 (E_RNA)
where:
Base-Base interactions energy: -1106.974
where: short stacking energy: -492.347
Base-Backbone interact. energy: -2.859
local terms energy: -510.323167
where:
bonds (distance) C4'-P energy: -113.639
bonds (distance) P-C4' energy: -84.916
flat angles C4'-P-C4' energy: -113.558
flat angles P-C4'-P energy: -70.997
tors. eta vs tors. theta energy: -127.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1511.693973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.693973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.693973 (E_RNA)
where:
Base-Base interactions energy: -1029.782
where: short stacking energy: -432.808
Base-Backbone interact. energy: -0.647
local terms energy: -481.264646
where:
bonds (distance) C4'-P energy: -88.215
bonds (distance) P-C4' energy: -96.870
flat angles C4'-P-C4' energy: -94.213
flat angles P-C4'-P energy: -79.524
tors. eta vs tors. theta energy: -122.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1461.208831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.208831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.208831 (E_RNA)
where:
Base-Base interactions energy: -999.033
where: short stacking energy: -410.862
Base-Backbone interact. energy: -1.657
local terms energy: -460.518312
where:
bonds (distance) C4'-P energy: -95.610
bonds (distance) P-C4' energy: -91.109
flat angles C4'-P-C4' energy: -104.309
flat angles P-C4'-P energy: -65.225
tors. eta vs tors. theta energy: -104.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1306.438402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.438402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.438402 (E_RNA)
where:
Base-Base interactions energy: -898.761
where: short stacking energy: -381.508
Base-Backbone interact. energy: 1.271
local terms energy: -408.948916
where:
bonds (distance) C4'-P energy: -85.571
bonds (distance) P-C4' energy: -97.745
flat angles C4'-P-C4' energy: -93.883
flat angles P-C4'-P energy: -40.328
tors. eta vs tors. theta energy: -91.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1145.402484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.402484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.402484 (E_RNA)
where:
Base-Base interactions energy: -772.679
where: short stacking energy: -323.325
Base-Backbone interact. energy: -0.904
local terms energy: -371.819318
where:
bonds (distance) C4'-P energy: -80.022
bonds (distance) P-C4' energy: -88.307
flat angles C4'-P-C4' energy: -88.572
flat angles P-C4'-P energy: -43.803
tors. eta vs tors. theta energy: -71.116
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: 3
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -868.734230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.734230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.734230 (E_RNA)
where:
Base-Base interactions energy: -526.392
where: short stacking energy: -274.116
Base-Backbone interact. energy: 0.786
local terms energy: -343.128247
where:
bonds (distance) C4'-P energy: -88.462
bonds (distance) P-C4' energy: -87.199
flat angles C4'-P-C4' energy: -78.762
flat angles P-C4'-P energy: -43.873
tors. eta vs tors. theta energy: -44.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -431.075999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.075999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.075999 (E_RNA)
where:
Base-Base interactions energy: -147.160
where: short stacking energy: -100.255
Base-Backbone interact. energy: -1.587
local terms energy: -282.329210
where:
bonds (distance) C4'-P energy: -92.079
bonds (distance) P-C4' energy: -99.197
flat angles C4'-P-C4' energy: -74.241
flat angles P-C4'-P energy: -40.016
tors. eta vs tors. theta energy: 23.204
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: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1847.303327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.303327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.303327 (E_RNA)
where:
Base-Base interactions energy: -1252.329
where: short stacking energy: -514.851
Base-Backbone interact. energy: -4.226
local terms energy: -590.748330
where:
bonds (distance) C4'-P energy: -106.437
bonds (distance) P-C4' energy: -118.540
flat angles C4'-P-C4' energy: -125.855
flat angles P-C4'-P energy: -87.033
tors. eta vs tors. theta energy: -152.884
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: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1771.997236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.997236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.997236 (E_RNA)
where:
Base-Base interactions energy: -1231.559
where: short stacking energy: -516.150
Base-Backbone interact. energy: -1.605
local terms energy: -538.833699
where:
bonds (distance) C4'-P energy: -107.595
bonds (distance) P-C4' energy: -101.822
flat angles C4'-P-C4' energy: -110.314
flat angles P-C4'-P energy: -68.565
tors. eta vs tors. theta energy: -150.538
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: 7
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1740.419438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.419438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.419438 (E_RNA)
where:
Base-Base interactions energy: -1187.793
where: short stacking energy: -497.603
Base-Backbone interact. energy: -3.998
local terms energy: -548.628180
where:
bonds (distance) C4'-P energy: -106.806
bonds (distance) P-C4' energy: -106.744
flat angles C4'-P-C4' energy: -119.638
flat angles P-C4'-P energy: -73.310
tors. eta vs tors. theta energy: -142.130
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: 4, replica: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1617.580797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.580797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.580797 (E_RNA)
where:
Base-Base interactions energy: -1102.365
where: short stacking energy: -497.049
Base-Backbone interact. energy: -1.574
local terms energy: -513.641516
where:
bonds (distance) C4'-P energy: -94.975
bonds (distance) P-C4' energy: -98.546
flat angles C4'-P-C4' energy: -118.396
flat angles P-C4'-P energy: -62.701
tors. eta vs tors. theta energy: -139.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1512.207163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.207163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.207163 (E_RNA)
where:
Base-Base interactions energy: -1032.020
where: short stacking energy: -405.824
Base-Backbone interact. energy: -4.685
local terms energy: -475.503037
where:
bonds (distance) C4'-P energy: -96.992
bonds (distance) P-C4' energy: -104.548
flat angles C4'-P-C4' energy: -106.006
flat angles P-C4'-P energy: -58.363
tors. eta vs tors. theta energy: -109.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1503.121117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.121117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.121117 (E_RNA)
where:
Base-Base interactions energy: -1026.854
where: short stacking energy: -441.924
Base-Backbone interact. energy: -0.906
local terms energy: -475.360291
where:
bonds (distance) C4'-P energy: -88.870
bonds (distance) P-C4' energy: -104.231
flat angles C4'-P-C4' energy: -111.248
flat angles P-C4'-P energy: -60.109
tors. eta vs tors. theta energy: -110.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1352.515688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.515688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.515688 (E_RNA)
where:
Base-Base interactions energy: -923.414
where: short stacking energy: -413.531
Base-Backbone interact. energy: -2.585
local terms energy: -426.515989
where:
bonds (distance) C4'-P energy: -75.573
bonds (distance) P-C4' energy: -90.573
flat angles C4'-P-C4' energy: -92.271
flat angles P-C4'-P energy: -70.323
tors. eta vs tors. theta energy: -97.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1154.876522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.876522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.876522 (E_RNA)
where:
Base-Base interactions energy: -759.766
where: short stacking energy: -325.537
Base-Backbone interact. energy: -1.957
local terms energy: -393.153830
where:
bonds (distance) C4'-P energy: -94.412
bonds (distance) P-C4' energy: -90.762
flat angles C4'-P-C4' energy: -87.188
flat angles P-C4'-P energy: -50.674
tors. eta vs tors. theta energy: -70.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -848.048569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.048569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.048569 (E_RNA)
where:
Base-Base interactions energy: -493.140
where: short stacking energy: -227.452
Base-Backbone interact. energy: 1.425
local terms energy: -356.333962
where:
bonds (distance) C4'-P energy: -92.993
bonds (distance) P-C4' energy: -91.772
flat angles C4'-P-C4' energy: -77.030
flat angles P-C4'-P energy: -58.536
tors. eta vs tors. theta energy: -36.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -442.924699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.924699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.924699 (E_RNA)
where:
Base-Base interactions energy: -166.167
where: short stacking energy: -108.249
Base-Backbone interact. energy: -2.705
local terms energy: -274.052640
where:
bonds (distance) C4'-P energy: -83.756
bonds (distance) P-C4' energy: -89.352
flat angles C4'-P-C4' energy: -85.503
flat angles P-C4'-P energy: -36.530
tors. eta vs tors. theta energy: 21.088
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: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1824.054515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.054515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.054515 (E_RNA)
where:
Base-Base interactions energy: -1241.509
where: short stacking energy: -543.122
Base-Backbone interact. energy: -6.516
local terms energy: -576.028942
where:
bonds (distance) C4'-P energy: -104.024
bonds (distance) P-C4' energy: -117.225
flat angles C4'-P-C4' energy: -118.386
flat angles P-C4'-P energy: -76.014
tors. eta vs tors. theta energy: -160.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1777.348594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.348594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.348594 (E_RNA)
where:
Base-Base interactions energy: -1231.680
where: short stacking energy: -493.941
Base-Backbone interact. energy: -3.250
local terms energy: -542.418346
where:
bonds (distance) C4'-P energy: -112.053
bonds (distance) P-C4' energy: -99.482
flat angles C4'-P-C4' energy: -116.291
flat angles P-C4'-P energy: -77.457
tors. eta vs tors. theta energy: -137.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1739.503202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.503202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.503202 (E_RNA)
where:
Base-Base interactions energy: -1193.212
where: short stacking energy: -518.295
Base-Backbone interact. energy: -3.165
local terms energy: -543.126032
where:
bonds (distance) C4'-P energy: -99.735
bonds (distance) P-C4' energy: -95.998
flat angles C4'-P-C4' energy: -127.750
flat angles P-C4'-P energy: -71.548
tors. eta vs tors. theta energy: -148.096
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: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1634.403652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.403652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.403652 (E_RNA)
where:
Base-Base interactions energy: -1096.312
where: short stacking energy: -484.108
Base-Backbone interact. energy: -1.617
local terms energy: -536.475114
where:
bonds (distance) C4'-P energy: -93.440
bonds (distance) P-C4' energy: -103.942
flat angles C4'-P-C4' energy: -117.939
flat angles P-C4'-P energy: -90.510
tors. eta vs tors. theta energy: -130.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1511.118318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.118318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.118318 (E_RNA)
where:
Base-Base interactions energy: -1030.601
where: short stacking energy: -432.929
Base-Backbone interact. energy: 2.027
local terms energy: -482.544404
where:
bonds (distance) C4'-P energy: -90.189
bonds (distance) P-C4' energy: -95.688
flat angles C4'-P-C4' energy: -100.266
flat angles P-C4'-P energy: -76.637
tors. eta vs tors. theta energy: -119.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1445.349060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.349060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.349060 (E_RNA)
where:
Base-Base interactions energy: -981.103
where: short stacking energy: -405.427
Base-Backbone interact. energy: 0.237
local terms energy: -464.482261
where:
bonds (distance) C4'-P energy: -96.405
bonds (distance) P-C4' energy: -91.473
flat angles C4'-P-C4' energy: -113.036
flat angles P-C4'-P energy: -69.014
tors. eta vs tors. theta energy: -94.554
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: 205
Temperature: 1.200000
Total energy: -1290.909134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.909134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.909134 (E_RNA)
where:
Base-Base interactions energy: -863.792
where: short stacking energy: -359.441
Base-Backbone interact. energy: 3.474
local terms energy: -430.591129
where:
bonds (distance) C4'-P energy: -86.432
bonds (distance) P-C4' energy: -96.394
flat angles C4'-P-C4' energy: -94.742
flat angles P-C4'-P energy: -64.698
tors. eta vs tors. theta energy: -88.325
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: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1143.969946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.969946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.969946 (E_RNA)
where:
Base-Base interactions energy: -740.241
where: short stacking energy: -295.922
Base-Backbone interact. energy: -0.851
local terms energy: -402.878591
where:
bonds (distance) C4'-P energy: -82.111
bonds (distance) P-C4' energy: -93.180
flat angles C4'-P-C4' energy: -89.350
flat angles P-C4'-P energy: -66.310
tors. eta vs tors. theta energy: -71.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -837.053615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.053615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.053615 (E_RNA)
where:
Base-Base interactions energy: -499.048
where: short stacking energy: -223.372
Base-Backbone interact. energy: 1.330
local terms energy: -339.335830
where:
bonds (distance) C4'-P energy: -77.627
bonds (distance) P-C4' energy: -89.483
flat angles C4'-P-C4' energy: -84.397
flat angles P-C4'-P energy: -70.077
tors. eta vs tors. theta energy: -17.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -441.911603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.911603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.911603 (E_RNA)
where:
Base-Base interactions energy: -166.664
where: short stacking energy: -126.543
Base-Backbone interact. energy: 2.772
local terms energy: -278.019397
where:
bonds (distance) C4'-P energy: -89.492
bonds (distance) P-C4' energy: -83.022
flat angles C4'-P-C4' energy: -89.525
flat angles P-C4'-P energy: -34.784
tors. eta vs tors. theta energy: 18.803
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: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1817.128767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.128767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.128767 (E_RNA)
where:
Base-Base interactions energy: -1252.795
where: short stacking energy: -547.938
Base-Backbone interact. energy: -1.040
local terms energy: -563.294234
where:
bonds (distance) C4'-P energy: -101.447
bonds (distance) P-C4' energy: -104.243
flat angles C4'-P-C4' energy: -123.940
flat angles P-C4'-P energy: -77.167
tors. eta vs tors. theta energy: -156.497
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: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1774.022902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.022902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.022902 (E_RNA)
where:
Base-Base interactions energy: -1214.135
where: short stacking energy: -523.694
Base-Backbone interact. energy: -2.865
local terms energy: -557.023538
where:
bonds (distance) C4'-P energy: -108.192
bonds (distance) P-C4' energy: -107.340
flat angles C4'-P-C4' energy: -111.882
flat angles P-C4'-P energy: -79.361
tors. eta vs tors. theta energy: -150.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1721.852355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.852355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.852355 (E_RNA)
where:
Base-Base interactions energy: -1172.365
where: short stacking energy: -505.590
Base-Backbone interact. energy: -3.733
local terms energy: -545.754351
where:
bonds (distance) C4'-P energy: -96.011
bonds (distance) P-C4' energy: -108.404
flat angles C4'-P-C4' energy: -114.647
flat angles P-C4'-P energy: -81.680
tors. eta vs tors. theta energy: -145.013
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: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1616.964708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.964708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.964708 (E_RNA)
where:
Base-Base interactions energy: -1096.658
where: short stacking energy: -484.673
Base-Backbone interact. energy: -2.016
local terms energy: -518.290365
where:
bonds (distance) C4'-P energy: -97.265
bonds (distance) P-C4' energy: -93.523
flat angles C4'-P-C4' energy: -113.612
flat angles P-C4'-P energy: -85.132
tors. eta vs tors. theta energy: -128.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1491.011806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.011806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.011806 (E_RNA)
where:
Base-Base interactions energy: -1000.817
where: short stacking energy: -430.822
Base-Backbone interact. energy: -3.102
local terms energy: -487.093131
where:
bonds (distance) C4'-P energy: -85.740
bonds (distance) P-C4' energy: -103.250
flat angles C4'-P-C4' energy: -108.896
flat angles P-C4'-P energy: -68.302
tors. eta vs tors. theta energy: -120.905
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: 9
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1408.747551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.747551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.747551 (E_RNA)
where:
Base-Base interactions energy: -952.651
where: short stacking energy: -393.733
Base-Backbone interact. energy: 1.875
local terms energy: -457.971785
where:
bonds (distance) C4'-P energy: -85.805
bonds (distance) P-C4' energy: -95.661
flat angles C4'-P-C4' energy: -106.556
flat angles P-C4'-P energy: -73.921
tors. eta vs tors. theta energy: -96.028
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: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1233.936107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.936107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.936107 (E_RNA)
where:
Base-Base interactions energy: -798.416
where: short stacking energy: -346.674
Base-Backbone interact. energy: -1.891
local terms energy: -433.629622
where:
bonds (distance) C4'-P energy: -94.220
bonds (distance) P-C4' energy: -95.841
flat angles C4'-P-C4' energy: -101.971
flat angles P-C4'-P energy: -62.900
tors. eta vs tors. theta energy: -78.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1296.378432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.378432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.378432 (E_RNA)
where:
Base-Base interactions energy: -891.568
where: short stacking energy: -368.658
Base-Backbone interact. energy: -0.493
local terms energy: -404.317191
where:
bonds (distance) C4'-P energy: -85.974
bonds (distance) P-C4' energy: -100.574
flat angles C4'-P-C4' energy: -75.547
flat angles P-C4'-P energy: -48.678
tors. eta vs tors. theta energy: -93.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -818.753736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.753736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.753736 (E_RNA)
where:
Base-Base interactions energy: -475.625
where: short stacking energy: -213.714
Base-Backbone interact. energy: 3.501
local terms energy: -346.630407
where:
bonds (distance) C4'-P energy: -98.156
bonds (distance) P-C4' energy: -98.936
flat angles C4'-P-C4' energy: -66.635
flat angles P-C4'-P energy: -57.838
tors. eta vs tors. theta energy: -25.066
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: 206
Temperature: 1.350000
Total energy: -448.318073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.318073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.318073 (E_RNA)
where:
Base-Base interactions energy: -146.852
where: short stacking energy: -133.236
Base-Backbone interact. energy: 6.653
local terms energy: -308.119027
where:
bonds (distance) C4'-P energy: -100.123
bonds (distance) P-C4' energy: -83.455
flat angles C4'-P-C4' energy: -83.493
flat angles P-C4'-P energy: -38.548
tors. eta vs tors. theta energy: -2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1836.041260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.041260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.041260 (E_RNA)
where:
Base-Base interactions energy: -1254.930
where: short stacking energy: -538.909
Base-Backbone interact. energy: -3.387
local terms energy: -577.723953
where:
bonds (distance) C4'-P energy: -113.401
bonds (distance) P-C4' energy: -108.127
flat angles C4'-P-C4' energy: -121.786
flat angles P-C4'-P energy: -84.505
tors. eta vs tors. theta energy: -149.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1796.456234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.456234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.456234 (E_RNA)
where:
Base-Base interactions energy: -1232.352
where: short stacking energy: -530.553
Base-Backbone interact. energy: -0.331
local terms energy: -563.773631
where:
bonds (distance) C4'-P energy: -110.137
bonds (distance) P-C4' energy: -104.909
flat angles C4'-P-C4' energy: -121.410
flat angles P-C4'-P energy: -76.418
tors. eta vs tors. theta energy: -150.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1705.213470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.213470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.213470 (E_RNA)
where:
Base-Base interactions energy: -1171.168
where: short stacking energy: -487.304
Base-Backbone interact. energy: -1.349
local terms energy: -532.695846
where:
bonds (distance) C4'-P energy: -90.649
bonds (distance) P-C4' energy: -100.362
flat angles C4'-P-C4' energy: -114.930
flat angles P-C4'-P energy: -76.141
tors. eta vs tors. theta energy: -150.613
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: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1593.321096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.321096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.321096 (E_RNA)
where:
Base-Base interactions energy: -1078.537
where: short stacking energy: -488.694
Base-Backbone interact. energy: -0.368
local terms energy: -514.415705
where:
bonds (distance) C4'-P energy: -87.799
bonds (distance) P-C4' energy: -104.450
flat angles C4'-P-C4' energy: -117.256
flat angles P-C4'-P energy: -80.542
tors. eta vs tors. theta energy: -124.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1444.680062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.680062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.680062 (E_RNA)
where:
Base-Base interactions energy: -974.762
where: short stacking energy: -429.710
Base-Backbone interact. energy: 2.100
local terms energy: -472.018002
where:
bonds (distance) C4'-P energy: -90.715
bonds (distance) P-C4' energy: -100.905
flat angles C4'-P-C4' energy: -110.383
flat angles P-C4'-P energy: -62.816
tors. eta vs tors. theta energy: -107.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1411.047700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.047700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.047700 (E_RNA)
where:
Base-Base interactions energy: -969.276
where: short stacking energy: -403.839
Base-Backbone interact. energy: -0.671
local terms energy: -441.101361
where:
bonds (distance) C4'-P energy: -88.922
bonds (distance) P-C4' energy: -84.421
flat angles C4'-P-C4' energy: -110.850
flat angles P-C4'-P energy: -69.736
tors. eta vs tors. theta energy: -87.172
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: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1265.598960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.598960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.598960 (E_RNA)
where:
Base-Base interactions energy: -844.169
where: short stacking energy: -362.938
Base-Backbone interact. energy: -1.017
local terms energy: -420.413300
where:
bonds (distance) C4'-P energy: -91.030
bonds (distance) P-C4' energy: -80.557
flat angles C4'-P-C4' energy: -92.901
flat angles P-C4'-P energy: -66.015
tors. eta vs tors. theta energy: -89.910
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: 5
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1322.219246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.219246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.219246 (E_RNA)
where:
Base-Base interactions energy: -878.324
where: short stacking energy: -372.958
Base-Backbone interact. energy: -0.559
local terms energy: -443.335913
where:
bonds (distance) C4'-P energy: -84.188
bonds (distance) P-C4' energy: -106.673
flat angles C4'-P-C4' energy: -94.658
flat angles P-C4'-P energy: -62.632
tors. eta vs tors. theta energy: -95.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -899.189921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.189921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.189921 (E_RNA)
where:
Base-Base interactions energy: -551.100
where: short stacking energy: -264.135
Base-Backbone interact. energy: 2.267
local terms energy: -350.356663
where:
bonds (distance) C4'-P energy: -91.943
bonds (distance) P-C4' energy: -72.559
flat angles C4'-P-C4' energy: -89.316
flat angles P-C4'-P energy: -64.767
tors. eta vs tors. theta energy: -31.771
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: 207
Temperature: 1.350000
Total energy: -419.215803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.215803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.215803 (E_RNA)
where:
Base-Base interactions energy: -157.426
where: short stacking energy: -108.931
Base-Backbone interact. energy: -0.169
local terms energy: -261.620346
where:
bonds (distance) C4'-P energy: -85.541
bonds (distance) P-C4' energy: -86.399
flat angles C4'-P-C4' energy: -73.739
flat angles P-C4'-P energy: -35.481
tors. eta vs tors. theta energy: 19.539
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: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1868.942190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.942190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.942190 (E_RNA)
where:
Base-Base interactions energy: -1265.177
where: short stacking energy: -531.121
Base-Backbone interact. energy: -0.479
local terms energy: -603.286393
where:
bonds (distance) C4'-P energy: -119.387
bonds (distance) P-C4' energy: -118.475
flat angles C4'-P-C4' energy: -128.277
flat angles P-C4'-P energy: -85.038
tors. eta vs tors. theta energy: -152.111
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: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1777.462569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.462569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.462569 (E_RNA)
where:
Base-Base interactions energy: -1198.430
where: short stacking energy: -512.504
Base-Backbone interact. energy: -3.971
local terms energy: -575.061549
where:
bonds (distance) C4'-P energy: -110.587
bonds (distance) P-C4' energy: -107.738
flat angles C4'-P-C4' energy: -131.259
flat angles P-C4'-P energy: -73.760
tors. eta vs tors. theta energy: -151.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1721.625592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.625592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.625592 (E_RNA)
where:
Base-Base interactions energy: -1187.821
where: short stacking energy: -499.198
Base-Backbone interact. energy: -1.653
local terms energy: -532.151324
where:
bonds (distance) C4'-P energy: -96.875
bonds (distance) P-C4' energy: -106.540
flat angles C4'-P-C4' energy: -119.826
flat angles P-C4'-P energy: -69.441
tors. eta vs tors. theta energy: -139.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1598.365837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.365837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.365837 (E_RNA)
where:
Base-Base interactions energy: -1099.768
where: short stacking energy: -483.042
Base-Backbone interact. energy: 1.790
local terms energy: -500.387867
where:
bonds (distance) C4'-P energy: -105.162
bonds (distance) P-C4' energy: -101.879
flat angles C4'-P-C4' energy: -106.417
flat angles P-C4'-P energy: -78.331
tors. eta vs tors. theta energy: -108.599
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: 9
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1462.526059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.526059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.526059 (E_RNA)
where:
Base-Base interactions energy: -996.342
where: short stacking energy: -393.910
Base-Backbone interact. energy: 1.419
local terms energy: -467.602927
where:
bonds (distance) C4'-P energy: -88.038
bonds (distance) P-C4' energy: -104.754
flat angles C4'-P-C4' energy: -120.365
flat angles P-C4'-P energy: -64.079
tors. eta vs tors. theta energy: -90.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1407.788987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.788987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.788987 (E_RNA)
where:
Base-Base interactions energy: -973.260
where: short stacking energy: -416.399
Base-Backbone interact. energy: 0.998
local terms energy: -435.527155
where:
bonds (distance) C4'-P energy: -85.117
bonds (distance) P-C4' energy: -88.312
flat angles C4'-P-C4' energy: -98.963
flat angles P-C4'-P energy: -59.296
tors. eta vs tors. theta energy: -103.838
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: 208
Temperature: 1.200000
Total energy: -1319.832175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.832175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.832175 (E_RNA)
where:
Base-Base interactions energy: -885.129
where: short stacking energy: -379.990
Base-Backbone interact. energy: 0.588
local terms energy: -435.291258
where:
bonds (distance) C4'-P energy: -93.653
bonds (distance) P-C4' energy: -78.527
flat angles C4'-P-C4' energy: -97.464
flat angles P-C4'-P energy: -71.102
tors. eta vs tors. theta energy: -94.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1224.995227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.995227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.995227 (E_RNA)
where:
Base-Base interactions energy: -803.917
where: short stacking energy: -363.335
Base-Backbone interact. energy: -0.830
local terms energy: -420.248249
where:
bonds (distance) C4'-P energy: -87.502
bonds (distance) P-C4' energy: -87.979
flat angles C4'-P-C4' energy: -93.923
flat angles P-C4'-P energy: -70.334
tors. eta vs tors. theta energy: -80.511
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: 3
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -848.836066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.836066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.836066 (E_RNA)
where:
Base-Base interactions energy: -503.692
where: short stacking energy: -243.474
Base-Backbone interact. energy: 6.196
local terms energy: -351.340200
where:
bonds (distance) C4'-P energy: -90.273
bonds (distance) P-C4' energy: -87.393
flat angles C4'-P-C4' energy: -83.928
flat angles P-C4'-P energy: -49.970
tors. eta vs tors. theta energy: -39.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -424.160069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.160069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.160069 (E_RNA)
where:
Base-Base interactions energy: -166.666
where: short stacking energy: -142.227
Base-Backbone interact. energy: 0.685
local terms energy: -258.179036
where:
bonds (distance) C4'-P energy: -93.629
bonds (distance) P-C4' energy: -70.970
flat angles C4'-P-C4' energy: -59.961
flat angles P-C4'-P energy: -44.282
tors. eta vs tors. theta energy: 10.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1804.904777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.904777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.904777 (E_RNA)
where:
Base-Base interactions energy: -1247.609
where: short stacking energy: -515.690
Base-Backbone interact. energy: -2.303
local terms energy: -554.992972
where:
bonds (distance) C4'-P energy: -108.506
bonds (distance) P-C4' energy: -104.210
flat angles C4'-P-C4' energy: -112.758
flat angles P-C4'-P energy: -83.823
tors. eta vs tors. theta energy: -145.696
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: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1769.581408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.581408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.581408 (E_RNA)
where:
Base-Base interactions energy: -1211.811
where: short stacking energy: -509.948
Base-Backbone interact. energy: -5.061
local terms energy: -552.709553
where:
bonds (distance) C4'-P energy: -110.216
bonds (distance) P-C4' energy: -109.775
flat angles C4'-P-C4' energy: -121.886
flat angles P-C4'-P energy: -75.677
tors. eta vs tors. theta energy: -135.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1709.869906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.869906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.869906 (E_RNA)
where:
Base-Base interactions energy: -1167.588
where: short stacking energy: -479.577
Base-Backbone interact. energy: -1.199
local terms energy: -541.083047
where:
bonds (distance) C4'-P energy: -89.036
bonds (distance) P-C4' energy: -117.184
flat angles C4'-P-C4' energy: -124.222
flat angles P-C4'-P energy: -75.168
tors. eta vs tors. theta energy: -135.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1603.422488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.422488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.422488 (E_RNA)
where:
Base-Base interactions energy: -1097.417
where: short stacking energy: -473.415
Base-Backbone interact. energy: 2.945
local terms energy: -508.950639
where:
bonds (distance) C4'-P energy: -100.848
bonds (distance) P-C4' energy: -93.951
flat angles C4'-P-C4' energy: -112.026
flat angles P-C4'-P energy: -76.218
tors. eta vs tors. theta energy: -125.908
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: 9
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1447.213164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.213164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.213164 (E_RNA)
where:
Base-Base interactions energy: -979.987
where: short stacking energy: -398.209
Base-Backbone interact. energy: -2.865
local terms energy: -464.361263
where:
bonds (distance) C4'-P energy: -98.764
bonds (distance) P-C4' energy: -97.503
flat angles C4'-P-C4' energy: -93.996
flat angles P-C4'-P energy: -78.531
tors. eta vs tors. theta energy: -95.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1379.222277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.222277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.222277 (E_RNA)
where:
Base-Base interactions energy: -907.867
where: short stacking energy: -383.641
Base-Backbone interact. energy: -0.679
local terms energy: -470.676230
where:
bonds (distance) C4'-P energy: -103.864
bonds (distance) P-C4' energy: -96.495
flat angles C4'-P-C4' energy: -102.119
flat angles P-C4'-P energy: -71.895
tors. eta vs tors. theta energy: -96.303
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: 209
Temperature: 1.200000
Total energy: -1344.078537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.078537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.078537 (E_RNA)
where:
Base-Base interactions energy: -883.151
where: short stacking energy: -375.714
Base-Backbone interact. energy: -1.839
local terms energy: -459.088319
where:
bonds (distance) C4'-P energy: -89.262
bonds (distance) P-C4' energy: -98.463
flat angles C4'-P-C4' energy: -101.161
flat angles P-C4'-P energy: -68.274
tors. eta vs tors. theta energy: -101.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1233.274751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.274751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.274751 (E_RNA)
where:
Base-Base interactions energy: -812.505
where: short stacking energy: -351.918
Base-Backbone interact. energy: 0.278
local terms energy: -421.047739
where:
bonds (distance) C4'-P energy: -91.324
bonds (distance) P-C4' energy: -102.602
flat angles C4'-P-C4' energy: -91.285
flat angles P-C4'-P energy: -52.410
tors. eta vs tors. theta energy: -83.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -837.400582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.400582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.400582 (E_RNA)
where:
Base-Base interactions energy: -500.094
where: short stacking energy: -229.188
Base-Backbone interact. energy: 1.151
local terms energy: -338.457627
where:
bonds (distance) C4'-P energy: -91.530
bonds (distance) P-C4' energy: -78.663
flat angles C4'-P-C4' energy: -91.334
flat angles P-C4'-P energy: -49.291
tors. eta vs tors. theta energy: -27.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -463.450069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.450069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.450069 (E_RNA)
where:
Base-Base interactions energy: -181.009
where: short stacking energy: -123.673
Base-Backbone interact. energy: -2.535
local terms energy: -279.906288
where:
bonds (distance) C4'-P energy: -82.561
bonds (distance) P-C4' energy: -88.343
flat angles C4'-P-C4' energy: -81.789
flat angles P-C4'-P energy: -47.408
tors. eta vs tors. theta energy: 20.194
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: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1825.201245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.201245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.201245 (E_RNA)
where:
Base-Base interactions energy: -1256.351
where: short stacking energy: -535.564
Base-Backbone interact. energy: -2.108
local terms energy: -566.741943
where:
bonds (distance) C4'-P energy: -111.076
bonds (distance) P-C4' energy: -108.426
flat angles C4'-P-C4' energy: -121.117
flat angles P-C4'-P energy: -70.908
tors. eta vs tors. theta energy: -155.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1759.868118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.868118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.868118 (E_RNA)
where:
Base-Base interactions energy: -1224.657
where: short stacking energy: -500.439
Base-Backbone interact. energy: -4.076
local terms energy: -531.134987
where:
bonds (distance) C4'-P energy: -110.603
bonds (distance) P-C4' energy: -105.021
flat angles C4'-P-C4' energy: -114.707
flat angles P-C4'-P energy: -77.665
tors. eta vs tors. theta energy: -123.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1730.001689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.001689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.001689 (E_RNA)
where:
Base-Base interactions energy: -1178.055
where: short stacking energy: -511.489
Base-Backbone interact. energy: -3.478
local terms energy: -548.468614
where:
bonds (distance) C4'-P energy: -90.181
bonds (distance) P-C4' energy: -105.661
flat angles C4'-P-C4' energy: -123.874
flat angles P-C4'-P energy: -74.900
tors. eta vs tors. theta energy: -153.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1579.049466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.049466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.049466 (E_RNA)
where:
Base-Base interactions energy: -1066.575
where: short stacking energy: -466.317
Base-Backbone interact. energy: -3.356
local terms energy: -509.118546
where:
bonds (distance) C4'-P energy: -94.642
bonds (distance) P-C4' energy: -91.140
flat angles C4'-P-C4' energy: -105.259
flat angles P-C4'-P energy: -91.201
tors. eta vs tors. theta energy: -126.876
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: 5, replica: 9
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1477.477937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.477937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.477937 (E_RNA)
where:
Base-Base interactions energy: -988.901
where: short stacking energy: -404.956
Base-Backbone interact. energy: -3.816
local terms energy: -484.761059
where:
bonds (distance) C4'-P energy: -95.044
bonds (distance) P-C4' energy: -97.873
flat angles C4'-P-C4' energy: -101.416
flat angles P-C4'-P energy: -74.876
tors. eta vs tors. theta energy: -115.552
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: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1338.310772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.310772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.310772 (E_RNA)
where:
Base-Base interactions energy: -867.482
where: short stacking energy: -391.432
Base-Backbone interact. energy: -2.734
local terms energy: -468.094909
where:
bonds (distance) C4'-P energy: -91.716
bonds (distance) P-C4' energy: -86.285
flat angles C4'-P-C4' energy: -113.027
flat angles P-C4'-P energy: -79.663
tors. eta vs tors. theta energy: -97.404
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: 7, replica: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1353.621648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.621648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.621648 (E_RNA)
where:
Base-Base interactions energy: -920.364
where: short stacking energy: -386.850
Base-Backbone interact. energy: -1.157
local terms energy: -432.100233
where:
bonds (distance) C4'-P energy: -99.234
bonds (distance) P-C4' energy: -80.415
flat angles C4'-P-C4' energy: -96.563
flat angles P-C4'-P energy: -58.850
tors. eta vs tors. theta energy: -97.037
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: 8
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1264.484145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.484145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.484145 (E_RNA)
where:
Base-Base interactions energy: -834.053
where: short stacking energy: -363.307
Base-Backbone interact. energy: -3.592
local terms energy: -426.839715
where:
bonds (distance) C4'-P energy: -81.752
bonds (distance) P-C4' energy: -100.503
flat angles C4'-P-C4' energy: -98.430
flat angles P-C4'-P energy: -67.121
tors. eta vs tors. theta energy: -79.035
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: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -836.044169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.044169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.044169 (E_RNA)
where:
Base-Base interactions energy: -494.509
where: short stacking energy: -230.418
Base-Backbone interact. energy: -2.576
local terms energy: -338.958189
where:
bonds (distance) C4'-P energy: -77.284
bonds (distance) P-C4' energy: -94.556
flat angles C4'-P-C4' energy: -88.934
flat angles P-C4'-P energy: -59.508
tors. eta vs tors. theta energy: -18.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -508.441519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.441519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.441519 (E_RNA)
where:
Base-Base interactions energy: -228.715
where: short stacking energy: -157.464
Base-Backbone interact. energy: -0.531
local terms energy: -279.195776
where:
bonds (distance) C4'-P energy: -79.573
bonds (distance) P-C4' energy: -67.773
flat angles C4'-P-C4' energy: -81.049
flat angles P-C4'-P energy: -55.716
tors. eta vs tors. theta energy: 4.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1842.381278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.381278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.381278 (E_RNA)
where:
Base-Base interactions energy: -1267.088
where: short stacking energy: -538.871
Base-Backbone interact. energy: 4.758
local terms energy: -580.051193
where:
bonds (distance) C4'-P energy: -113.284
bonds (distance) P-C4' energy: -107.009
flat angles C4'-P-C4' energy: -129.433
flat angles P-C4'-P energy: -75.816
tors. eta vs tors. theta energy: -154.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1778.586018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.586018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.586018 (E_RNA)
where:
Base-Base interactions energy: -1233.653
where: short stacking energy: -514.049
Base-Backbone interact. energy: -2.634
local terms energy: -542.299498
where:
bonds (distance) C4'-P energy: -105.521
bonds (distance) P-C4' energy: -117.421
flat angles C4'-P-C4' energy: -120.804
flat angles P-C4'-P energy: -70.591
tors. eta vs tors. theta energy: -127.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1683.696006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.696006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.696006 (E_RNA)
where:
Base-Base interactions energy: -1145.992
where: short stacking energy: -497.289
Base-Backbone interact. energy: -1.391
local terms energy: -536.312752
where:
bonds (distance) C4'-P energy: -117.476
bonds (distance) P-C4' energy: -97.385
flat angles C4'-P-C4' energy: -112.797
flat angles P-C4'-P energy: -81.934
tors. eta vs tors. theta energy: -126.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1591.790827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.790827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.790827 (E_RNA)
where:
Base-Base interactions energy: -1065.859
where: short stacking energy: -448.689
Base-Backbone interact. energy: -2.564
local terms energy: -523.367419
where:
bonds (distance) C4'-P energy: -111.234
bonds (distance) P-C4' energy: -103.441
flat angles C4'-P-C4' energy: -111.557
flat angles P-C4'-P energy: -70.322
tors. eta vs tors. theta energy: -126.813
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: 211
Temperature: 1.100000
Total energy: -1528.633122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.633122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.633122 (E_RNA)
where:
Base-Base interactions energy: -1047.457
where: short stacking energy: -438.279
Base-Backbone interact. energy: 0.125
local terms energy: -481.300239
where:
bonds (distance) C4'-P energy: -94.065
bonds (distance) P-C4' energy: -95.896
flat angles C4'-P-C4' energy: -109.674
flat angles P-C4'-P energy: -71.421
tors. eta vs tors. theta energy: -110.243
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: 6, replica: 6
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1438.928363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.928363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.928363 (E_RNA)
where:
Base-Base interactions energy: -966.020
where: short stacking energy: -398.435
Base-Backbone interact. energy: -2.776
local terms energy: -470.132854
where:
bonds (distance) C4'-P energy: -85.015
bonds (distance) P-C4' energy: -98.590
flat angles C4'-P-C4' energy: -102.803
flat angles P-C4'-P energy: -71.108
tors. eta vs tors. theta energy: -112.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1325.828781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.828781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.828781 (E_RNA)
where:
Base-Base interactions energy: -909.677
where: short stacking energy: -379.348
Base-Backbone interact. energy: -0.864
local terms energy: -415.288382
where:
bonds (distance) C4'-P energy: -88.070
bonds (distance) P-C4' energy: -89.039
flat angles C4'-P-C4' energy: -92.332
flat angles P-C4'-P energy: -58.388
tors. eta vs tors. theta energy: -87.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1190.692968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.692968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.692968 (E_RNA)
where:
Base-Base interactions energy: -768.518
where: short stacking energy: -332.497
Base-Backbone interact. energy: 4.914
local terms energy: -427.088640
where:
bonds (distance) C4'-P energy: -90.399
bonds (distance) P-C4' energy: -102.841
flat angles C4'-P-C4' energy: -96.426
flat angles P-C4'-P energy: -63.438
tors. eta vs tors. theta energy: -73.985
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: 3
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -861.372855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.372855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.372855 (E_RNA)
where:
Base-Base interactions energy: -525.335
where: short stacking energy: -238.831
Base-Backbone interact. energy: 3.232
local terms energy: -339.270697
where:
bonds (distance) C4'-P energy: -84.774
bonds (distance) P-C4' energy: -97.375
flat angles C4'-P-C4' energy: -78.369
flat angles P-C4'-P energy: -51.314
tors. eta vs tors. theta energy: -27.439
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: 211
Temperature: 1.350000
Total energy: -527.404742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.404742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.404742 (E_RNA)
where:
Base-Base interactions energy: -262.335
where: short stacking energy: -176.596
Base-Backbone interact. energy: 3.039
local terms energy: -268.108647
where:
bonds (distance) C4'-P energy: -92.858
bonds (distance) P-C4' energy: -85.097
flat angles C4'-P-C4' energy: -63.146
flat angles P-C4'-P energy: -38.838
tors. eta vs tors. theta energy: 11.831
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: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1843.560125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.560125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.560125 (E_RNA)
where:
Base-Base interactions energy: -1250.563
where: short stacking energy: -556.168
Base-Backbone interact. energy: -1.075
local terms energy: -591.922357
where:
bonds (distance) C4'-P energy: -107.172
bonds (distance) P-C4' energy: -116.871
flat angles C4'-P-C4' energy: -131.670
flat angles P-C4'-P energy: -68.128
tors. eta vs tors. theta energy: -168.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1778.619585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.619585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.619585 (E_RNA)
where:
Base-Base interactions energy: -1225.854
where: short stacking energy: -522.201
Base-Backbone interact. energy: -2.682
local terms energy: -550.083769
where:
bonds (distance) C4'-P energy: -108.142
bonds (distance) P-C4' energy: -111.638
flat angles C4'-P-C4' energy: -117.629
flat angles P-C4'-P energy: -69.857
tors. eta vs tors. theta energy: -142.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1705.928886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.928886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.928886 (E_RNA)
where:
Base-Base interactions energy: -1197.455
where: short stacking energy: -492.237
Base-Backbone interact. energy: -2.408
local terms energy: -506.065774
where:
bonds (distance) C4'-P energy: -92.634
bonds (distance) P-C4' energy: -97.747
flat angles C4'-P-C4' energy: -117.021
flat angles P-C4'-P energy: -55.150
tors. eta vs tors. theta energy: -143.515
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: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1580.477716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.477716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.477716 (E_RNA)
where:
Base-Base interactions energy: -1044.314
where: short stacking energy: -464.073
Base-Backbone interact. energy: -0.531
local terms energy: -535.633089
where:
bonds (distance) C4'-P energy: -114.279
bonds (distance) P-C4' energy: -113.696
flat angles C4'-P-C4' energy: -110.163
flat angles P-C4'-P energy: -72.887
tors. eta vs tors. theta energy: -124.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1497.572408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.572408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.572408 (E_RNA)
where:
Base-Base interactions energy: -997.812
where: short stacking energy: -420.811
Base-Backbone interact. energy: 0.288
local terms energy: -500.048533
where:
bonds (distance) C4'-P energy: -96.183
bonds (distance) P-C4' energy: -105.728
flat angles C4'-P-C4' energy: -106.020
flat angles P-C4'-P energy: -74.385
tors. eta vs tors. theta energy: -117.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1428.256596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.256596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.256596 (E_RNA)
where:
Base-Base interactions energy: -983.751
where: short stacking energy: -418.385
Base-Backbone interact. energy: -1.126
local terms energy: -443.379704
where:
bonds (distance) C4'-P energy: -90.481
bonds (distance) P-C4' energy: -84.802
flat angles C4'-P-C4' energy: -91.984
flat angles P-C4'-P energy: -70.350
tors. eta vs tors. theta energy: -105.763
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: 212
Temperature: 1.200000
Total energy: -1310.118073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.118073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.118073 (E_RNA)
where:
Base-Base interactions energy: -880.856
where: short stacking energy: -370.950
Base-Backbone interact. energy: 2.382
local terms energy: -431.643303
where:
bonds (distance) C4'-P energy: -99.648
bonds (distance) P-C4' energy: -86.100
flat angles C4'-P-C4' energy: -114.702
flat angles P-C4'-P energy: -56.220
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: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1166.325920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.325920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.325920 (E_RNA)
where:
Base-Base interactions energy: -752.821
where: short stacking energy: -316.475
Base-Backbone interact. energy: 6.825
local terms energy: -420.329723
where:
bonds (distance) C4'-P energy: -89.620
bonds (distance) P-C4' energy: -94.458
flat angles C4'-P-C4' energy: -93.141
flat angles P-C4'-P energy: -72.696
tors. eta vs tors. theta energy: -70.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -832.568992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.568992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.568992 (E_RNA)
where:
Base-Base interactions energy: -480.717
where: short stacking energy: -217.096
Base-Backbone interact. energy: 1.281
local terms energy: -353.133849
where:
bonds (distance) C4'-P energy: -86.060
bonds (distance) P-C4' energy: -98.389
flat angles C4'-P-C4' energy: -83.413
flat angles P-C4'-P energy: -52.004
tors. eta vs tors. theta energy: -33.268
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: 212
Temperature: 1.350000
Total energy: -493.499672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.499672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.499672 (E_RNA)
where:
Base-Base interactions energy: -211.629
where: short stacking energy: -125.537
Base-Backbone interact. energy: -1.144
local terms energy: -280.726089
where:
bonds (distance) C4'-P energy: -86.365
bonds (distance) P-C4' energy: -104.619
flat angles C4'-P-C4' energy: -67.284
flat angles P-C4'-P energy: -44.581
tors. eta vs tors. theta energy: 22.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1868.858593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.858593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.858593 (E_RNA)
where:
Base-Base interactions energy: -1261.494
where: short stacking energy: -549.187
Base-Backbone interact. energy: 0.414
local terms energy: -607.778416
where:
bonds (distance) C4'-P energy: -121.067
bonds (distance) P-C4' energy: -120.509
flat angles C4'-P-C4' energy: -121.008
flat angles P-C4'-P energy: -77.674
tors. eta vs tors. theta energy: -167.521
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: 7
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1754.616641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.616641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.616641 (E_RNA)
where:
Base-Base interactions energy: -1198.480
where: short stacking energy: -516.998
Base-Backbone interact. energy: -0.239
local terms energy: -555.897627
where:
bonds (distance) C4'-P energy: -108.474
bonds (distance) P-C4' energy: -108.830
flat angles C4'-P-C4' energy: -115.627
flat angles P-C4'-P energy: -83.347
tors. eta vs tors. theta energy: -139.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1726.905770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.905770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.905770 (E_RNA)
where:
Base-Base interactions energy: -1179.403
where: short stacking energy: -502.118
Base-Backbone interact. energy: -3.215
local terms energy: -544.288366
where:
bonds (distance) C4'-P energy: -103.345
bonds (distance) P-C4' energy: -100.093
flat angles C4'-P-C4' energy: -123.536
flat angles P-C4'-P energy: -79.657
tors. eta vs tors. theta energy: -137.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1580.375547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.375547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.375547 (E_RNA)
where:
Base-Base interactions energy: -1084.606
where: short stacking energy: -459.827
Base-Backbone interact. energy: -2.483
local terms energy: -493.286862
where:
bonds (distance) C4'-P energy: -107.621
bonds (distance) P-C4' energy: -89.900
flat angles C4'-P-C4' energy: -101.553
flat angles P-C4'-P energy: -67.466
tors. eta vs tors. theta energy: -126.747
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: 213
Temperature: 1.100000
Total energy: -1458.875988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.875988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.875988 (E_RNA)
where:
Base-Base interactions energy: -1025.272
where: short stacking energy: -412.204
Base-Backbone interact. energy: -0.777
local terms energy: -432.827061
where:
bonds (distance) C4'-P energy: -89.738
bonds (distance) P-C4' energy: -99.959
flat angles C4'-P-C4' energy: -79.504
flat angles P-C4'-P energy: -71.414
tors. eta vs tors. theta energy: -92.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1412.059345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.059345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.059345 (E_RNA)
where:
Base-Base interactions energy: -942.309
where: short stacking energy: -396.519
Base-Backbone interact. energy: -1.831
local terms energy: -467.919061
where:
bonds (distance) C4'-P energy: -96.617
bonds (distance) P-C4' energy: -100.585
flat angles C4'-P-C4' energy: -96.000
flat angles P-C4'-P energy: -74.278
tors. eta vs tors. theta energy: -100.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1355.822813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.822813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.822813 (E_RNA)
where:
Base-Base interactions energy: -913.859
where: short stacking energy: -359.067
Base-Backbone interact. energy: -1.781
local terms energy: -440.182424
where:
bonds (distance) C4'-P energy: -97.748
bonds (distance) P-C4' energy: -98.921
flat angles C4'-P-C4' energy: -109.016
flat angles P-C4'-P energy: -57.597
tors. eta vs tors. theta energy: -76.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1164.323769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.323769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.323769 (E_RNA)
where:
Base-Base interactions energy: -769.825
where: short stacking energy: -331.833
Base-Backbone interact. energy: -0.972
local terms energy: -393.527157
where:
bonds (distance) C4'-P energy: -93.343
bonds (distance) P-C4' energy: -89.281
flat angles C4'-P-C4' energy: -83.177
flat angles P-C4'-P energy: -60.030
tors. eta vs tors. theta energy: -67.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -885.525942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.525942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.525942 (E_RNA)
where:
Base-Base interactions energy: -561.450
where: short stacking energy: -230.967
Base-Backbone interact. energy: 2.055
local terms energy: -326.130591
where:
bonds (distance) C4'-P energy: -76.725
bonds (distance) P-C4' energy: -86.473
flat angles C4'-P-C4' energy: -92.474
flat angles P-C4'-P energy: -54.010
tors. eta vs tors. theta energy: -16.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -569.343689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.343689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.343689 (E_RNA)
where:
Base-Base interactions energy: -273.395
where: short stacking energy: -165.952
Base-Backbone interact. energy: 3.898
local terms energy: -299.846254
where:
bonds (distance) C4'-P energy: -89.502
bonds (distance) P-C4' energy: -93.098
flat angles C4'-P-C4' energy: -88.127
flat angles P-C4'-P energy: -45.361
tors. eta vs tors. theta energy: 16.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1872.542092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.542092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.542092 (E_RNA)
where:
Base-Base interactions energy: -1287.440
where: short stacking energy: -552.200
Base-Backbone interact. energy: 0.096
local terms energy: -585.198064
where:
bonds (distance) C4'-P energy: -112.558
bonds (distance) P-C4' energy: -109.639
flat angles C4'-P-C4' energy: -121.461
flat angles P-C4'-P energy: -84.668
tors. eta vs tors. theta energy: -156.873
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: 7
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1770.340631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.340631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.340631 (E_RNA)
where:
Base-Base interactions energy: -1232.539
where: short stacking energy: -512.178
Base-Backbone interact. energy: -2.689
local terms energy: -535.112669
where:
bonds (distance) C4'-P energy: -103.883
bonds (distance) P-C4' energy: -103.215
flat angles C4'-P-C4' energy: -115.378
flat angles P-C4'-P energy: -80.269
tors. eta vs tors. theta energy: -132.367
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: 4
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1720.620046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.620046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.620046 (E_RNA)
where:
Base-Base interactions energy: -1181.002
where: short stacking energy: -506.793
Base-Backbone interact. energy: -1.955
local terms energy: -537.662633
where:
bonds (distance) C4'-P energy: -95.349
bonds (distance) P-C4' energy: -108.282
flat angles C4'-P-C4' energy: -118.579
flat angles P-C4'-P energy: -82.489
tors. eta vs tors. theta energy: -132.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1621.211047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.211047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.211047 (E_RNA)
where:
Base-Base interactions energy: -1098.384
where: short stacking energy: -503.563
Base-Backbone interact. energy: -2.900
local terms energy: -519.926845
where:
bonds (distance) C4'-P energy: -92.886
bonds (distance) P-C4' energy: -101.701
flat angles C4'-P-C4' energy: -115.011
flat angles P-C4'-P energy: -71.065
tors. eta vs tors. theta energy: -139.264
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: 9
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1519.307894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.307894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.307894 (E_RNA)
where:
Base-Base interactions energy: -1048.732
where: short stacking energy: -442.946
Base-Backbone interact. energy: -2.320
local terms energy: -468.256385
where:
bonds (distance) C4'-P energy: -92.707
bonds (distance) P-C4' energy: -103.663
flat angles C4'-P-C4' energy: -105.934
flat angles P-C4'-P energy: -61.379
tors. eta vs tors. theta energy: -104.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1440.078990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.078990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.078990 (E_RNA)
where:
Base-Base interactions energy: -955.407
where: short stacking energy: -436.909
Base-Backbone interact. energy: -0.462
local terms energy: -484.210302
where:
bonds (distance) C4'-P energy: -95.642
bonds (distance) P-C4' energy: -90.561
flat angles C4'-P-C4' energy: -104.291
flat angles P-C4'-P energy: -75.230
tors. eta vs tors. theta energy: -118.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1349.978109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.978109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.978109 (E_RNA)
where:
Base-Base interactions energy: -913.271
where: short stacking energy: -385.998
Base-Backbone interact. energy: -2.416
local terms energy: -434.292026
where:
bonds (distance) C4'-P energy: -80.847
bonds (distance) P-C4' energy: -94.343
flat angles C4'-P-C4' energy: -94.788
flat angles P-C4'-P energy: -63.010
tors. eta vs tors. theta energy: -101.303
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: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1188.800676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.800676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.800676 (E_RNA)
where:
Base-Base interactions energy: -776.700
where: short stacking energy: -337.933
Base-Backbone interact. energy: -1.152
local terms energy: -410.949350
where:
bonds (distance) C4'-P energy: -83.067
bonds (distance) P-C4' energy: -99.019
flat angles C4'-P-C4' energy: -95.530
flat angles P-C4'-P energy: -62.039
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: 9, replica: 3
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -921.668605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.668605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.668605 (E_RNA)
where:
Base-Base interactions energy: -558.204
where: short stacking energy: -274.376
Base-Backbone interact. energy: 0.939
local terms energy: -364.404275
where:
bonds (distance) C4'-P energy: -91.031
bonds (distance) P-C4' energy: -83.801
flat angles C4'-P-C4' energy: -90.643
flat angles P-C4'-P energy: -54.976
tors. eta vs tors. theta energy: -43.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -577.727583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.727583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.727583 (E_RNA)
where:
Base-Base interactions energy: -267.383
where: short stacking energy: -147.024
Base-Backbone interact. energy: -1.297
local terms energy: -309.047671
where:
bonds (distance) C4'-P energy: -80.068
bonds (distance) P-C4' energy: -102.442
flat angles C4'-P-C4' energy: -77.707
flat angles P-C4'-P energy: -44.006
tors. eta vs tors. theta energy: -4.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1835.809150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.809150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.809150 (E_RNA)
where:
Base-Base interactions energy: -1258.863
where: short stacking energy: -533.442
Base-Backbone interact. energy: -0.072
local terms energy: -576.873951
where:
bonds (distance) C4'-P energy: -107.641
bonds (distance) P-C4' energy: -108.253
flat angles C4'-P-C4' energy: -126.731
flat angles P-C4'-P energy: -75.229
tors. eta vs tors. theta energy: -159.020
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: 7
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1789.221897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.221897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.221897 (E_RNA)
where:
Base-Base interactions energy: -1225.422
where: short stacking energy: -525.013
Base-Backbone interact. energy: -1.555
local terms energy: -562.245346
where:
bonds (distance) C4'-P energy: -102.259
bonds (distance) P-C4' energy: -109.937
flat angles C4'-P-C4' energy: -119.492
flat angles P-C4'-P energy: -81.940
tors. eta vs tors. theta energy: -148.618
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: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1673.117778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.117778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.117778 (E_RNA)
where:
Base-Base interactions energy: -1143.393
where: short stacking energy: -488.979
Base-Backbone interact. energy: -6.707
local terms energy: -523.017585
where:
bonds (distance) C4'-P energy: -104.071
bonds (distance) P-C4' energy: -108.513
flat angles C4'-P-C4' energy: -111.661
flat angles P-C4'-P energy: -73.939
tors. eta vs tors. theta energy: -124.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1609.004651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.004651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.004651 (E_RNA)
where:
Base-Base interactions energy: -1081.003
where: short stacking energy: -472.789
Base-Backbone interact. energy: 0.100
local terms energy: -528.101623
where:
bonds (distance) C4'-P energy: -103.374
bonds (distance) P-C4' energy: -109.030
flat angles C4'-P-C4' energy: -102.933
flat angles P-C4'-P energy: -72.462
tors. eta vs tors. theta energy: -140.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1501.120161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.120161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.120161 (E_RNA)
where:
Base-Base interactions energy: -1026.782
where: short stacking energy: -423.007
Base-Backbone interact. energy: 0.636
local terms energy: -474.974177
where:
bonds (distance) C4'-P energy: -103.014
bonds (distance) P-C4' energy: -103.593
flat angles C4'-P-C4' energy: -104.505
flat angles P-C4'-P energy: -65.302
tors. eta vs tors. theta energy: -98.561
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: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1445.105959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.105959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.105959 (E_RNA)
where:
Base-Base interactions energy: -977.745
where: short stacking energy: -417.363
Base-Backbone interact. energy: -3.730
local terms energy: -463.630939
where:
bonds (distance) C4'-P energy: -90.711
bonds (distance) P-C4' energy: -86.042
flat angles C4'-P-C4' energy: -98.271
flat angles P-C4'-P energy: -76.257
tors. eta vs tors. theta energy: -112.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1315.324879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.324879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.324879 (E_RNA)
where:
Base-Base interactions energy: -883.720
where: short stacking energy: -384.862
Base-Backbone interact. energy: -1.212
local terms energy: -430.392928
where:
bonds (distance) C4'-P energy: -83.758
bonds (distance) P-C4' energy: -95.567
flat angles C4'-P-C4' energy: -105.008
flat angles P-C4'-P energy: -63.197
tors. eta vs tors. theta energy: -82.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1151.405002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.405002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.405002 (E_RNA)
where:
Base-Base interactions energy: -762.229
where: short stacking energy: -345.645
Base-Backbone interact. energy: -2.293
local terms energy: -386.883363
where:
bonds (distance) C4'-P energy: -87.078
bonds (distance) P-C4' energy: -81.966
flat angles C4'-P-C4' energy: -85.208
flat angles P-C4'-P energy: -60.232
tors. eta vs tors. theta energy: -72.399
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: 3
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -855.445362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.445362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.445362 (E_RNA)
where:
Base-Base interactions energy: -508.915
where: short stacking energy: -235.394
Base-Backbone interact. energy: -1.522
local terms energy: -345.008190
where:
bonds (distance) C4'-P energy: -93.421
bonds (distance) P-C4' energy: -85.564
flat angles C4'-P-C4' energy: -85.181
flat angles P-C4'-P energy: -58.276
tors. eta vs tors. theta energy: -22.566
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: 215
Temperature: 1.350000
Total energy: -583.845869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.845869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.845869 (E_RNA)
where:
Base-Base interactions energy: -254.774
where: short stacking energy: -157.503
Base-Backbone interact. energy: 1.912
local terms energy: -330.984743
where:
bonds (distance) C4'-P energy: -90.740
bonds (distance) P-C4' energy: -105.439
flat angles C4'-P-C4' energy: -77.161
flat angles P-C4'-P energy: -46.551
tors. eta vs tors. theta energy: -11.093
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: 1, replica: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1836.658235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.658235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.658235 (E_RNA)
where:
Base-Base interactions energy: -1280.630
where: short stacking energy: -535.647
Base-Backbone interact. energy: -1.468
local terms energy: -554.560024
where:
bonds (distance) C4'-P energy: -93.660
bonds (distance) P-C4' energy: -116.776
flat angles C4'-P-C4' energy: -117.550
flat angles P-C4'-P energy: -72.901
tors. eta vs tors. theta energy: -153.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1806.097643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.097643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.097643 (E_RNA)
where:
Base-Base interactions energy: -1233.726
where: short stacking energy: -504.120
Base-Backbone interact. energy: -1.643
local terms energy: -570.728560
where:
bonds (distance) C4'-P energy: -116.145
bonds (distance) P-C4' energy: -113.990
flat angles C4'-P-C4' energy: -115.338
flat angles P-C4'-P energy: -74.294
tors. eta vs tors. theta energy: -150.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1689.731519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.731519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.731519 (E_RNA)
where:
Base-Base interactions energy: -1157.129
where: short stacking energy: -475.848
Base-Backbone interact. energy: -1.755
local terms energy: -530.847185
where:
bonds (distance) C4'-P energy: -101.043
bonds (distance) P-C4' energy: -108.198
flat angles C4'-P-C4' energy: -115.779
flat angles P-C4'-P energy: -79.447
tors. eta vs tors. theta energy: -126.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1570.792810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.792810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.792810 (E_RNA)
where:
Base-Base interactions energy: -1068.021
where: short stacking energy: -467.503
Base-Backbone interact. energy: 1.584
local terms energy: -504.355666
where:
bonds (distance) C4'-P energy: -109.849
bonds (distance) P-C4' energy: -77.553
flat angles C4'-P-C4' energy: -117.576
flat angles P-C4'-P energy: -82.945
tors. eta vs tors. theta energy: -116.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1529.278369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.278369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.278369 (E_RNA)
where:
Base-Base interactions energy: -1021.415
where: short stacking energy: -445.441
Base-Backbone interact. energy: -1.670
local terms energy: -506.192953
where:
bonds (distance) C4'-P energy: -99.222
bonds (distance) P-C4' energy: -102.392
flat angles C4'-P-C4' energy: -115.567
flat angles P-C4'-P energy: -68.849
tors. eta vs tors. theta energy: -120.164
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: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1393.001668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.001668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.001668 (E_RNA)
where:
Base-Base interactions energy: -934.633
where: short stacking energy: -391.288
Base-Backbone interact. energy: -2.842
local terms energy: -455.526436
where:
bonds (distance) C4'-P energy: -76.232
bonds (distance) P-C4' energy: -106.742
flat angles C4'-P-C4' energy: -103.847
flat angles P-C4'-P energy: -65.463
tors. eta vs tors. theta energy: -103.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1339.474853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.474853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.474853 (E_RNA)
where:
Base-Base interactions energy: -913.704
where: short stacking energy: -389.896
Base-Backbone interact. energy: -2.274
local terms energy: -423.496635
where:
bonds (distance) C4'-P energy: -81.832
bonds (distance) P-C4' energy: -97.482
flat angles C4'-P-C4' energy: -101.503
flat angles P-C4'-P energy: -51.698
tors. eta vs tors. theta energy: -90.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1184.670523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.670523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.670523 (E_RNA)
where:
Base-Base interactions energy: -762.647
where: short stacking energy: -340.493
Base-Backbone interact. energy: 1.392
local terms energy: -423.416263
where:
bonds (distance) C4'-P energy: -72.182
bonds (distance) P-C4' energy: -113.976
flat angles C4'-P-C4' energy: -102.944
flat angles P-C4'-P energy: -55.951
tors. eta vs tors. theta energy: -78.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -801.350000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.350000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.350000 (E_RNA)
where:
Base-Base interactions energy: -487.567
where: short stacking energy: -218.705
Base-Backbone interact. energy: -0.743
local terms energy: -313.039325
where:
bonds (distance) C4'-P energy: -76.588
bonds (distance) P-C4' energy: -103.520
flat angles C4'-P-C4' energy: -73.293
flat angles P-C4'-P energy: -36.673
tors. eta vs tors. theta energy: -22.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -532.501596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.501596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.501596 (E_RNA)
where:
Base-Base interactions energy: -242.193
where: short stacking energy: -158.658
Base-Backbone interact. energy: 5.264
local terms energy: -295.572512
where:
bonds (distance) C4'-P energy: -80.430
bonds (distance) P-C4' energy: -92.069
flat angles C4'-P-C4' energy: -79.029
flat angles P-C4'-P energy: -45.866
tors. eta vs tors. theta energy: 1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1840.998695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.998695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.998695 (E_RNA)
where:
Base-Base interactions energy: -1259.601
where: short stacking energy: -531.568
Base-Backbone interact. energy: -1.726
local terms energy: -579.672172
where:
bonds (distance) C4'-P energy: -115.463
bonds (distance) P-C4' energy: -112.868
flat angles C4'-P-C4' energy: -126.720
flat angles P-C4'-P energy: -76.669
tors. eta vs tors. theta energy: -147.952
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: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1804.400032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.400032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.400032 (E_RNA)
where:
Base-Base interactions energy: -1243.209
where: short stacking energy: -543.631
Base-Backbone interact. energy: -1.374
local terms energy: -559.817446
where:
bonds (distance) C4'-P energy: -101.226
bonds (distance) P-C4' energy: -110.677
flat angles C4'-P-C4' energy: -123.843
flat angles P-C4'-P energy: -76.501
tors. eta vs tors. theta energy: -147.571
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: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1706.228505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.228505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.228505 (E_RNA)
where:
Base-Base interactions energy: -1161.795
where: short stacking energy: -471.398
Base-Backbone interact. energy: -3.304
local terms energy: -541.129729
where:
bonds (distance) C4'-P energy: -101.915
bonds (distance) P-C4' energy: -103.594
flat angles C4'-P-C4' energy: -114.824
flat angles P-C4'-P energy: -80.382
tors. eta vs tors. theta energy: -140.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1582.430999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.430999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.430999 (E_RNA)
where:
Base-Base interactions energy: -1073.510
where: short stacking energy: -463.900
Base-Backbone interact. energy: -2.001
local terms energy: -506.920248
where:
bonds (distance) C4'-P energy: -93.754
bonds (distance) P-C4' energy: -104.221
flat angles C4'-P-C4' energy: -111.737
flat angles P-C4'-P energy: -72.163
tors. eta vs tors. theta energy: -125.047
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: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1575.187353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.187353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.187353 (E_RNA)
where:
Base-Base interactions energy: -1062.331
where: short stacking energy: -485.819
Base-Backbone interact. energy: 0.336
local terms energy: -513.191797
where:
bonds (distance) C4'-P energy: -82.057
bonds (distance) P-C4' energy: -112.686
flat angles C4'-P-C4' energy: -114.299
flat angles P-C4'-P energy: -68.670
tors. eta vs tors. theta energy: -135.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1380.832632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.832632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.832632 (E_RNA)
where:
Base-Base interactions energy: -916.267
where: short stacking energy: -393.847
Base-Backbone interact. energy: -1.520
local terms energy: -463.046014
where:
bonds (distance) C4'-P energy: -95.273
bonds (distance) P-C4' energy: -106.478
flat angles C4'-P-C4' energy: -103.594
flat angles P-C4'-P energy: -61.526
tors. eta vs tors. theta energy: -96.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1312.812188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.812188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.812188 (E_RNA)
where:
Base-Base interactions energy: -871.843
where: short stacking energy: -371.743
Base-Backbone interact. energy: 1.880
local terms energy: -442.849191
where:
bonds (distance) C4'-P energy: -92.746
bonds (distance) P-C4' energy: -76.780
flat angles C4'-P-C4' energy: -105.134
flat angles P-C4'-P energy: -68.408
tors. eta vs tors. theta energy: -99.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1169.200408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.200408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.200408 (E_RNA)
where:
Base-Base interactions energy: -762.591
where: short stacking energy: -332.517
Base-Backbone interact. energy: -0.968
local terms energy: -405.640878
where:
bonds (distance) C4'-P energy: -95.556
bonds (distance) P-C4' energy: -73.268
flat angles C4'-P-C4' energy: -100.945
flat angles P-C4'-P energy: -70.102
tors. eta vs tors. theta energy: -65.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -806.025114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.025114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.025114 (E_RNA)
where:
Base-Base interactions energy: -466.406
where: short stacking energy: -213.517
Base-Backbone interact. energy: 0.513
local terms energy: -340.132420
where:
bonds (distance) C4'-P energy: -83.364
bonds (distance) P-C4' energy: -101.978
flat angles C4'-P-C4' energy: -93.899
flat angles P-C4'-P energy: -36.344
tors. eta vs tors. theta energy: -24.548
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: 217
Temperature: 1.350000
Total energy: -551.297159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.297159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.297159 (E_RNA)
where:
Base-Base interactions energy: -258.497
where: short stacking energy: -165.181
Base-Backbone interact. energy: 14.590
local terms energy: -307.390600
where:
bonds (distance) C4'-P energy: -82.523
bonds (distance) P-C4' energy: -89.579
flat angles C4'-P-C4' energy: -81.539
flat angles P-C4'-P energy: -44.608
tors. eta vs tors. theta energy: -9.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1856.534244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.534244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.534244 (E_RNA)
where:
Base-Base interactions energy: -1301.414
where: short stacking energy: -534.122
Base-Backbone interact. energy: -5.630
local terms energy: -549.490162
where:
bonds (distance) C4'-P energy: -101.829
bonds (distance) P-C4' energy: -94.419
flat angles C4'-P-C4' energy: -120.243
flat angles P-C4'-P energy: -87.294
tors. eta vs tors. theta energy: -145.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1779.162531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.162531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.162531 (E_RNA)
where:
Base-Base interactions energy: -1205.087
where: short stacking energy: -539.313
Base-Backbone interact. energy: -0.339
local terms energy: -573.736300
where:
bonds (distance) C4'-P energy: -106.766
bonds (distance) P-C4' energy: -117.497
flat angles C4'-P-C4' energy: -127.976
flat angles P-C4'-P energy: -63.486
tors. eta vs tors. theta energy: -158.011
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: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1671.726699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.726699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.726699 (E_RNA)
where:
Base-Base interactions energy: -1145.145
where: short stacking energy: -487.091
Base-Backbone interact. energy: -1.772
local terms energy: -524.809427
where:
bonds (distance) C4'-P energy: -96.313
bonds (distance) P-C4' energy: -101.381
flat angles C4'-P-C4' energy: -112.371
flat angles P-C4'-P energy: -77.004
tors. eta vs tors. theta energy: -137.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1557.469781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.469781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.469781 (E_RNA)
where:
Base-Base interactions energy: -1050.720
where: short stacking energy: -451.787
Base-Backbone interact. energy: -2.586
local terms energy: -504.164470
where:
bonds (distance) C4'-P energy: -107.011
bonds (distance) P-C4' energy: -100.829
flat angles C4'-P-C4' energy: -99.002
flat angles P-C4'-P energy: -71.069
tors. eta vs tors. theta energy: -126.253
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: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1536.574601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.574601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.574601 (E_RNA)
where:
Base-Base interactions energy: -1038.841
where: short stacking energy: -440.929
Base-Backbone interact. energy: -1.781
local terms energy: -495.953026
where:
bonds (distance) C4'-P energy: -82.522
bonds (distance) P-C4' energy: -115.761
flat angles C4'-P-C4' energy: -106.896
flat angles P-C4'-P energy: -65.911
tors. eta vs tors. theta energy: -124.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1359.420698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.420698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.420698 (E_RNA)
where:
Base-Base interactions energy: -936.348
where: short stacking energy: -393.119
Base-Backbone interact. energy: -0.747
local terms energy: -422.324946
where:
bonds (distance) C4'-P energy: -86.164
bonds (distance) P-C4' energy: -93.451
flat angles C4'-P-C4' energy: -92.841
flat angles P-C4'-P energy: -58.442
tors. eta vs tors. theta energy: -91.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1324.150911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.150911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.150911 (E_RNA)
where:
Base-Base interactions energy: -896.170
where: short stacking energy: -377.187
Base-Backbone interact. energy: -1.476
local terms energy: -426.505618
where:
bonds (distance) C4'-P energy: -82.937
bonds (distance) P-C4' energy: -85.472
flat angles C4'-P-C4' energy: -98.526
flat angles P-C4'-P energy: -68.632
tors. eta vs tors. theta energy: -90.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1170.698985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.698985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.698985 (E_RNA)
where:
Base-Base interactions energy: -768.082
where: short stacking energy: -336.784
Base-Backbone interact. energy: 0.012
local terms energy: -402.628896
where:
bonds (distance) C4'-P energy: -84.384
bonds (distance) P-C4' energy: -93.867
flat angles C4'-P-C4' energy: -89.347
flat angles P-C4'-P energy: -61.712
tors. eta vs tors. theta energy: -73.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -791.417483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.417483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.417483 (E_RNA)
where:
Base-Base interactions energy: -464.288
where: short stacking energy: -220.343
Base-Backbone interact. energy: 6.977
local terms energy: -334.106470
where:
bonds (distance) C4'-P energy: -91.399
bonds (distance) P-C4' energy: -89.656
flat angles C4'-P-C4' energy: -79.245
flat angles P-C4'-P energy: -50.029
tors. eta vs tors. theta energy: -23.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -578.061514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.061514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.061514 (E_RNA)
where:
Base-Base interactions energy: -289.207
where: short stacking energy: -158.914
Base-Backbone interact. energy: 0.141
local terms energy: -288.994948
where:
bonds (distance) C4'-P energy: -83.143
bonds (distance) P-C4' energy: -101.213
flat angles C4'-P-C4' energy: -62.205
flat angles P-C4'-P energy: -39.298
tors. eta vs tors. theta energy: -3.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1844.765414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.765414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.765414 (E_RNA)
where:
Base-Base interactions energy: -1287.594
where: short stacking energy: -540.209
Base-Backbone interact. energy: -6.209
local terms energy: -550.962596
where:
bonds (distance) C4'-P energy: -102.511
bonds (distance) P-C4' energy: -105.107
flat angles C4'-P-C4' energy: -126.158
flat angles P-C4'-P energy: -71.958
tors. eta vs tors. theta energy: -145.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1782.984160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.984160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.984160 (E_RNA)
where:
Base-Base interactions energy: -1230.253
where: short stacking energy: -527.748
Base-Backbone interact. energy: -3.841
local terms energy: -548.889422
where:
bonds (distance) C4'-P energy: -111.842
bonds (distance) P-C4' energy: -102.335
flat angles C4'-P-C4' energy: -117.846
flat angles P-C4'-P energy: -65.953
tors. eta vs tors. theta energy: -150.914
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: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1668.563490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.563490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.563490 (E_RNA)
where:
Base-Base interactions energy: -1147.320
where: short stacking energy: -483.643
Base-Backbone interact. energy: -4.093
local terms energy: -517.150217
where:
bonds (distance) C4'-P energy: -108.008
bonds (distance) P-C4' energy: -102.717
flat angles C4'-P-C4' energy: -108.751
flat angles P-C4'-P energy: -72.445
tors. eta vs tors. theta energy: -125.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1576.305428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.305428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.305428 (E_RNA)
where:
Base-Base interactions energy: -1073.105
where: short stacking energy: -463.002
Base-Backbone interact. energy: -0.025
local terms energy: -503.175409
where:
bonds (distance) C4'-P energy: -112.303
bonds (distance) P-C4' energy: -90.473
flat angles C4'-P-C4' energy: -105.770
flat angles P-C4'-P energy: -79.000
tors. eta vs tors. theta energy: -115.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1520.231924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.231924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.231924 (E_RNA)
where:
Base-Base interactions energy: -1033.172
where: short stacking energy: -426.244
Base-Backbone interact. energy: -1.557
local terms energy: -485.502224
where:
bonds (distance) C4'-P energy: -106.711
bonds (distance) P-C4' energy: -83.319
flat angles C4'-P-C4' energy: -117.882
flat angles P-C4'-P energy: -59.821
tors. eta vs tors. theta energy: -117.769
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: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1377.607440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.607440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.607440 (E_RNA)
where:
Base-Base interactions energy: -896.290
where: short stacking energy: -394.087
Base-Backbone interact. energy: 1.615
local terms energy: -482.932766
where:
bonds (distance) C4'-P energy: -91.751
bonds (distance) P-C4' energy: -108.296
flat angles C4'-P-C4' energy: -110.300
flat angles P-C4'-P energy: -73.387
tors. eta vs tors. theta energy: -99.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1301.256116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.256116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.256116 (E_RNA)
where:
Base-Base interactions energy: -866.513
where: short stacking energy: -373.575
Base-Backbone interact. energy: -1.509
local terms energy: -433.233963
where:
bonds (distance) C4'-P energy: -103.273
bonds (distance) P-C4' energy: -72.524
flat angles C4'-P-C4' energy: -97.227
flat angles P-C4'-P energy: -69.482
tors. eta vs tors. theta energy: -90.727
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: 219
Temperature: 1.250000
Total energy: -1130.523647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.523647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.523647 (E_RNA)
where:
Base-Base interactions energy: -749.404
where: short stacking energy: -321.864
Base-Backbone interact. energy: -2.382
local terms energy: -378.737099
where:
bonds (distance) C4'-P energy: -97.412
bonds (distance) P-C4' energy: -97.638
flat angles C4'-P-C4' energy: -78.981
flat angles P-C4'-P energy: -52.352
tors. eta vs tors. theta energy: -52.354
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: 3
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -807.006168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.006168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.006168 (E_RNA)
where:
Base-Base interactions energy: -466.926
where: short stacking energy: -229.053
Base-Backbone interact. energy: -0.740
local terms energy: -339.340123
where:
bonds (distance) C4'-P energy: -89.660
bonds (distance) P-C4' energy: -99.585
flat angles C4'-P-C4' energy: -100.596
flat angles P-C4'-P energy: -33.479
tors. eta vs tors. theta energy: -16.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -561.785002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.785002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.785002 (E_RNA)
where:
Base-Base interactions energy: -265.975
where: short stacking energy: -161.111
Base-Backbone interact. energy: 1.928
local terms energy: -297.738724
where:
bonds (distance) C4'-P energy: -74.655
bonds (distance) P-C4' energy: -79.572
flat angles C4'-P-C4' energy: -84.480
flat angles P-C4'-P energy: -53.872
tors. eta vs tors. theta energy: -5.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1868.552693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.552693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.552693 (E_RNA)
where:
Base-Base interactions energy: -1302.739
where: short stacking energy: -529.373
Base-Backbone interact. energy: 2.237
local terms energy: -568.051297
where:
bonds (distance) C4'-P energy: -109.464
bonds (distance) P-C4' energy: -111.111
flat angles C4'-P-C4' energy: -113.777
flat angles P-C4'-P energy: -83.299
tors. eta vs tors. theta energy: -150.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1785.924106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.924106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.924106 (E_RNA)
where:
Base-Base interactions energy: -1232.540
where: short stacking energy: -529.041
Base-Backbone interact. energy: -3.425
local terms energy: -549.959709
where:
bonds (distance) C4'-P energy: -105.122
bonds (distance) P-C4' energy: -109.463
flat angles C4'-P-C4' energy: -112.319
flat angles P-C4'-P energy: -70.825
tors. eta vs tors. theta energy: -152.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1688.924116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.924116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.924116 (E_RNA)
where:
Base-Base interactions energy: -1165.562
where: short stacking energy: -511.158
Base-Backbone interact. energy: -0.983
local terms energy: -522.378654
where:
bonds (distance) C4'-P energy: -99.491
bonds (distance) P-C4' energy: -101.413
flat angles C4'-P-C4' energy: -119.142
flat angles P-C4'-P energy: -60.505
tors. eta vs tors. theta energy: -141.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1569.425616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.425616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.425616 (E_RNA)
where:
Base-Base interactions energy: -1043.969
where: short stacking energy: -453.240
Base-Backbone interact. energy: 2.006
local terms energy: -527.463107
where:
bonds (distance) C4'-P energy: -99.752
bonds (distance) P-C4' energy: -103.288
flat angles C4'-P-C4' energy: -121.424
flat angles P-C4'-P energy: -78.547
tors. eta vs tors. theta energy: -124.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1432.417496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.417496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.417496 (E_RNA)
where:
Base-Base interactions energy: -949.979
where: short stacking energy: -418.494
Base-Backbone interact. energy: -1.500
local terms energy: -480.938509
where:
bonds (distance) C4'-P energy: -93.731
bonds (distance) P-C4' energy: -106.361
flat angles C4'-P-C4' energy: -111.982
flat angles P-C4'-P energy: -63.232
tors. eta vs tors. theta energy: -105.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1411.914649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.914649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.914649 (E_RNA)
where:
Base-Base interactions energy: -970.356
where: short stacking energy: -416.918
Base-Backbone interact. energy: -2.266
local terms energy: -439.292480
where:
bonds (distance) C4'-P energy: -75.152
bonds (distance) P-C4' energy: -100.475
flat angles C4'-P-C4' energy: -94.324
flat angles P-C4'-P energy: -75.037
tors. eta vs tors. theta energy: -94.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1334.134802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.134802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.134802 (E_RNA)
where:
Base-Base interactions energy: -892.831
where: short stacking energy: -384.450
Base-Backbone interact. energy: -3.758
local terms energy: -437.546070
where:
bonds (distance) C4'-P energy: -96.473
bonds (distance) P-C4' energy: -88.420
flat angles C4'-P-C4' energy: -103.057
flat angles P-C4'-P energy: -59.981
tors. eta vs tors. theta energy: -89.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1155.033734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.033734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.033734 (E_RNA)
where:
Base-Base interactions energy: -738.995
where: short stacking energy: -339.168
Base-Backbone interact. energy: 1.030
local terms energy: -417.068631
where:
bonds (distance) C4'-P energy: -93.682
bonds (distance) P-C4' energy: -100.713
flat angles C4'-P-C4' energy: -87.823
flat angles P-C4'-P energy: -55.213
tors. eta vs tors. theta energy: -79.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -778.335397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.335397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.335397 (E_RNA)
where:
Base-Base interactions energy: -461.284
where: short stacking energy: -229.712
Base-Backbone interact. energy: 0.008
local terms energy: -317.059388
where:
bonds (distance) C4'-P energy: -77.124
bonds (distance) P-C4' energy: -96.911
flat angles C4'-P-C4' energy: -74.299
flat angles P-C4'-P energy: -51.509
tors. eta vs tors. theta energy: -17.216
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: 220
Temperature: 1.350000
Total energy: -594.323682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.323682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.323682 (E_RNA)
where:
Base-Base interactions energy: -262.841
where: short stacking energy: -173.561
Base-Backbone interact. energy: 1.889
local terms energy: -333.371627
where:
bonds (distance) C4'-P energy: -92.995
bonds (distance) P-C4' energy: -105.734
flat angles C4'-P-C4' energy: -81.444
flat angles P-C4'-P energy: -48.854
tors. eta vs tors. theta energy: -4.344
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: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1861.557167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.557167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.557167 (E_RNA)
where:
Base-Base interactions energy: -1284.648
where: short stacking energy: -537.292
Base-Backbone interact. energy: -3.182
local terms energy: -573.727802
where:
bonds (distance) C4'-P energy: -111.267
bonds (distance) P-C4' energy: -113.933
flat angles C4'-P-C4' energy: -131.032
flat angles P-C4'-P energy: -68.565
tors. eta vs tors. theta energy: -148.930
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: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1784.567246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.567246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.567246 (E_RNA)
where:
Base-Base interactions energy: -1222.122
where: short stacking energy: -520.559
Base-Backbone interact. energy: -3.587
local terms energy: -558.858922
where:
bonds (distance) C4'-P energy: -101.704
bonds (distance) P-C4' energy: -104.918
flat angles C4'-P-C4' energy: -118.765
flat angles P-C4'-P energy: -79.835
tors. eta vs tors. theta energy: -153.637
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: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1649.676314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.676314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.676314 (E_RNA)
where:
Base-Base interactions energy: -1130.189
where: short stacking energy: -487.917
Base-Backbone interact. energy: -1.037
local terms energy: -518.449859
where:
bonds (distance) C4'-P energy: -92.067
bonds (distance) P-C4' energy: -109.953
flat angles C4'-P-C4' energy: -115.083
flat angles P-C4'-P energy: -67.168
tors. eta vs tors. theta energy: -134.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1580.644578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.644578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.644578 (E_RNA)
where:
Base-Base interactions energy: -1062.311
where: short stacking energy: -433.631
Base-Backbone interact. energy: -5.832
local terms energy: -512.501979
where:
bonds (distance) C4'-P energy: -110.545
bonds (distance) P-C4' energy: -115.273
flat angles C4'-P-C4' energy: -100.944
flat angles P-C4'-P energy: -73.904
tors. eta vs tors. theta energy: -111.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1442.953610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.953610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.953610 (E_RNA)
where:
Base-Base interactions energy: -968.622
where: short stacking energy: -416.971
Base-Backbone interact. energy: -2.457
local terms energy: -471.875139
where:
bonds (distance) C4'-P energy: -93.038
bonds (distance) P-C4' energy: -102.144
flat angles C4'-P-C4' energy: -98.879
flat angles P-C4'-P energy: -55.639
tors. eta vs tors. theta energy: -122.175
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: 9
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1395.107287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.107287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.107287 (E_RNA)
where:
Base-Base interactions energy: -950.551
where: short stacking energy: -410.933
Base-Backbone interact. energy: 0.798
local terms energy: -445.354308
where:
bonds (distance) C4'-P energy: -94.378
bonds (distance) P-C4' energy: -84.707
flat angles C4'-P-C4' energy: -100.619
flat angles P-C4'-P energy: -59.067
tors. eta vs tors. theta energy: -106.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1385.052619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.052619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.052619 (E_RNA)
where:
Base-Base interactions energy: -955.422
where: short stacking energy: -414.573
Base-Backbone interact. energy: 0.013
local terms energy: -429.643091
where:
bonds (distance) C4'-P energy: -62.345
bonds (distance) P-C4' energy: -96.097
flat angles C4'-P-C4' energy: -103.122
flat angles P-C4'-P energy: -70.840
tors. eta vs tors. theta energy: -97.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1157.252583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.252583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.252583 (E_RNA)
where:
Base-Base interactions energy: -765.790
where: short stacking energy: -329.370
Base-Backbone interact. energy: 4.765
local terms energy: -396.227404
where:
bonds (distance) C4'-P energy: -82.159
bonds (distance) P-C4' energy: -100.437
flat angles C4'-P-C4' energy: -93.165
flat angles P-C4'-P energy: -48.659
tors. eta vs tors. theta energy: -71.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -811.818651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.818651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.818651 (E_RNA)
where:
Base-Base interactions energy: -464.908
where: short stacking energy: -226.729
Base-Backbone interact. energy: 5.905
local terms energy: -352.815173
where:
bonds (distance) C4'-P energy: -94.427
bonds (distance) P-C4' energy: -92.971
flat angles C4'-P-C4' energy: -85.701
flat angles P-C4'-P energy: -50.170
tors. eta vs tors. theta energy: -29.546
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: 10, replica: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -543.604766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.604766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.604766 (E_RNA)
where:
Base-Base interactions energy: -271.948
where: short stacking energy: -152.678
Base-Backbone interact. energy: -1.735
local terms energy: -269.922502
where:
bonds (distance) C4'-P energy: -85.045
bonds (distance) P-C4' energy: -86.785
flat angles C4'-P-C4' energy: -70.120
flat angles P-C4'-P energy: -35.211
tors. eta vs tors. theta energy: 7.239
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: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1876.716165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.716165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.716165 (E_RNA)
where:
Base-Base interactions energy: -1309.765
where: short stacking energy: -540.886
Base-Backbone interact. energy: -5.057
local terms energy: -561.894491
where:
bonds (distance) C4'-P energy: -107.511
bonds (distance) P-C4' energy: -113.213
flat angles C4'-P-C4' energy: -115.938
flat angles P-C4'-P energy: -71.734
tors. eta vs tors. theta energy: -153.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1792.233641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.233641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.233641 (E_RNA)
where:
Base-Base interactions energy: -1218.524
where: short stacking energy: -525.377
Base-Backbone interact. energy: 0.667
local terms energy: -574.376157
where:
bonds (distance) C4'-P energy: -106.548
bonds (distance) P-C4' energy: -109.104
flat angles C4'-P-C4' energy: -120.702
flat angles P-C4'-P energy: -77.677
tors. eta vs tors. theta energy: -160.346
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: 222
Temperature: 1.000000
Total energy: -1689.103168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.103168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.103168 (E_RNA)
where:
Base-Base interactions energy: -1155.338
where: short stacking energy: -486.242
Base-Backbone interact. energy: -4.207
local terms energy: -529.558908
where:
bonds (distance) C4'-P energy: -95.224
bonds (distance) P-C4' energy: -101.546
flat angles C4'-P-C4' energy: -121.226
flat angles P-C4'-P energy: -74.734
tors. eta vs tors. theta energy: -136.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1626.896493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.896493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.896493 (E_RNA)
where:
Base-Base interactions energy: -1107.480
where: short stacking energy: -486.284
Base-Backbone interact. energy: -0.920
local terms energy: -518.496414
where:
bonds (distance) C4'-P energy: -100.927
bonds (distance) P-C4' energy: -96.166
flat angles C4'-P-C4' energy: -113.400
flat angles P-C4'-P energy: -76.297
tors. eta vs tors. theta energy: -131.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1506.595544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.595544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.595544 (E_RNA)
where:
Base-Base interactions energy: -1024.122
where: short stacking energy: -468.111
Base-Backbone interact. energy: -1.781
local terms energy: -480.692268
where:
bonds (distance) C4'-P energy: -97.002
bonds (distance) P-C4' energy: -92.530
flat angles C4'-P-C4' energy: -109.770
flat angles P-C4'-P energy: -68.987
tors. eta vs tors. theta energy: -112.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1362.858048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.858048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.858048 (E_RNA)
where:
Base-Base interactions energy: -902.206
where: short stacking energy: -397.531
Base-Backbone interact. energy: -0.878
local terms energy: -459.774190
where:
bonds (distance) C4'-P energy: -105.926
bonds (distance) P-C4' energy: -88.053
flat angles C4'-P-C4' energy: -98.881
flat angles P-C4'-P energy: -72.543
tors. eta vs tors. theta energy: -94.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1368.599391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.599391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.599391 (E_RNA)
where:
Base-Base interactions energy: -893.529
where: short stacking energy: -378.866
Base-Backbone interact. energy: 0.581
local terms energy: -475.652023
where:
bonds (distance) C4'-P energy: -97.837
bonds (distance) P-C4' energy: -102.883
flat angles C4'-P-C4' energy: -107.093
flat angles P-C4'-P energy: -67.024
tors. eta vs tors. theta energy: -100.815
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: 8
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1179.016751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.016751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.016751 (E_RNA)
where:
Base-Base interactions energy: -787.701
where: short stacking energy: -333.802
Base-Backbone interact. energy: 0.749
local terms energy: -392.064262
where:
bonds (distance) C4'-P energy: -86.682
bonds (distance) P-C4' energy: -89.288
flat angles C4'-P-C4' energy: -90.162
flat angles P-C4'-P energy: -63.620
tors. eta vs tors. theta energy: -62.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -895.552996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.552996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.552996 (E_RNA)
where:
Base-Base interactions energy: -551.775
where: short stacking energy: -265.389
Base-Backbone interact. energy: -1.857
local terms energy: -341.921927
where:
bonds (distance) C4'-P energy: -87.602
bonds (distance) P-C4' energy: -68.691
flat angles C4'-P-C4' energy: -90.310
flat angles P-C4'-P energy: -51.871
tors. eta vs tors. theta energy: -43.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -569.887665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.887665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.887665 (E_RNA)
where:
Base-Base interactions energy: -252.041
where: short stacking energy: -145.064
Base-Backbone interact. energy: 0.610
local terms energy: -318.456455
where:
bonds (distance) C4'-P energy: -87.987
bonds (distance) P-C4' energy: -90.802
flat angles C4'-P-C4' energy: -85.938
flat angles P-C4'-P energy: -47.066
tors. eta vs tors. theta energy: -6.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1883.729131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.729131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.729131 (E_RNA)
where:
Base-Base interactions energy: -1279.772
where: short stacking energy: -536.053
Base-Backbone interact. energy: -4.443
local terms energy: -599.513946
where:
bonds (distance) C4'-P energy: -128.545
bonds (distance) P-C4' energy: -122.439
flat angles C4'-P-C4' energy: -117.182
flat angles P-C4'-P energy: -78.459
tors. eta vs tors. theta energy: -152.889
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: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1786.966472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.966472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.966472 (E_RNA)
where:
Base-Base interactions energy: -1251.873
where: short stacking energy: -532.256
Base-Backbone interact. energy: -0.400
local terms energy: -534.693520
where:
bonds (distance) C4'-P energy: -98.316
bonds (distance) P-C4' energy: -101.605
flat angles C4'-P-C4' energy: -121.272
flat angles P-C4'-P energy: -53.871
tors. eta vs tors. theta energy: -159.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1693.710468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.710468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.710468 (E_RNA)
where:
Base-Base interactions energy: -1153.502
where: short stacking energy: -495.248
Base-Backbone interact. energy: -1.805
local terms energy: -538.404273
where:
bonds (distance) C4'-P energy: -89.693
bonds (distance) P-C4' energy: -107.515
flat angles C4'-P-C4' energy: -113.558
flat angles P-C4'-P energy: -83.125
tors. eta vs tors. theta energy: -144.514
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: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1624.861184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.861184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.861184 (E_RNA)
where:
Base-Base interactions energy: -1133.330
where: short stacking energy: -500.548
Base-Backbone interact. energy: 9.782
local terms energy: -501.313150
where:
bonds (distance) C4'-P energy: -90.836
bonds (distance) P-C4' energy: -102.480
flat angles C4'-P-C4' energy: -112.457
flat angles P-C4'-P energy: -67.343
tors. eta vs tors. theta energy: -128.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1462.175077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.175077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.175077 (E_RNA)
where:
Base-Base interactions energy: -976.149
where: short stacking energy: -422.470
Base-Backbone interact. energy: -2.760
local terms energy: -483.266558
where:
bonds (distance) C4'-P energy: -95.790
bonds (distance) P-C4' energy: -96.914
flat angles C4'-P-C4' energy: -112.981
flat angles P-C4'-P energy: -73.992
tors. eta vs tors. theta energy: -103.590
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: 9
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1407.287799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.287799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.287799 (E_RNA)
where:
Base-Base interactions energy: -939.896
where: short stacking energy: -413.502
Base-Backbone interact. energy: 0.775
local terms energy: -468.167522
where:
bonds (distance) C4'-P energy: -88.012
bonds (distance) P-C4' energy: -104.890
flat angles C4'-P-C4' energy: -107.166
flat angles P-C4'-P energy: -71.555
tors. eta vs tors. theta energy: -96.545
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: 223
Temperature: 1.200000
Total energy: -1352.642635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.642635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.642635 (E_RNA)
where:
Base-Base interactions energy: -905.544
where: short stacking energy: -371.333
Base-Backbone interact. energy: -1.107
local terms energy: -445.992001
where:
bonds (distance) C4'-P energy: -90.483
bonds (distance) P-C4' energy: -98.225
flat angles C4'-P-C4' energy: -94.550
flat angles P-C4'-P energy: -74.226
tors. eta vs tors. theta energy: -88.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1157.827649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.827649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.827649 (E_RNA)
where:
Base-Base interactions energy: -743.737
where: short stacking energy: -320.305
Base-Backbone interact. energy: -1.886
local terms energy: -412.204535
where:
bonds (distance) C4'-P energy: -92.531
bonds (distance) P-C4' energy: -101.592
flat angles C4'-P-C4' energy: -88.816
flat angles P-C4'-P energy: -53.006
tors. eta vs tors. theta energy: -76.258
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: 3
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -875.091962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.091962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.091962 (E_RNA)
where:
Base-Base interactions energy: -499.483
where: short stacking energy: -239.416
Base-Backbone interact. energy: -1.260
local terms energy: -374.349055
where:
bonds (distance) C4'-P energy: -91.703
bonds (distance) P-C4' energy: -86.429
flat angles C4'-P-C4' energy: -95.442
flat angles P-C4'-P energy: -47.794
tors. eta vs tors. theta energy: -52.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -580.250292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.250292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.250292 (E_RNA)
where:
Base-Base interactions energy: -286.177
where: short stacking energy: -177.244
Base-Backbone interact. energy: -3.115
local terms energy: -290.958645
where:
bonds (distance) C4'-P energy: -88.844
bonds (distance) P-C4' energy: -87.483
flat angles C4'-P-C4' energy: -63.894
flat angles P-C4'-P energy: -61.054
tors. eta vs tors. theta energy: 10.316
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: 7
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1865.866806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.866806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.866806 (E_RNA)
where:
Base-Base interactions energy: -1267.486
where: short stacking energy: -530.886
Base-Backbone interact. energy: -1.906
local terms energy: -596.474233
where:
bonds (distance) C4'-P energy: -114.189
bonds (distance) P-C4' energy: -115.292
flat angles C4'-P-C4' energy: -123.066
flat angles P-C4'-P energy: -83.878
tors. eta vs tors. theta energy: -160.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1768.285334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.285334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.285334 (E_RNA)
where:
Base-Base interactions energy: -1193.250
where: short stacking energy: -492.412
Base-Backbone interact. energy: -3.031
local terms energy: -572.004654
where:
bonds (distance) C4'-P energy: -111.159
bonds (distance) P-C4' energy: -109.731
flat angles C4'-P-C4' energy: -117.331
flat angles P-C4'-P energy: -91.510
tors. eta vs tors. theta energy: -142.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1695.765597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.765597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.765597 (E_RNA)
where:
Base-Base interactions energy: -1161.705
where: short stacking energy: -500.609
Base-Backbone interact. energy: 7.924
local terms energy: -541.984621
where:
bonds (distance) C4'-P energy: -93.048
bonds (distance) P-C4' energy: -111.924
flat angles C4'-P-C4' energy: -111.476
flat angles P-C4'-P energy: -77.795
tors. eta vs tors. theta energy: -147.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1615.920529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.920529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.920529 (E_RNA)
where:
Base-Base interactions energy: -1107.964
where: short stacking energy: -477.650
Base-Backbone interact. energy: -1.955
local terms energy: -506.001614
where:
bonds (distance) C4'-P energy: -93.709
bonds (distance) P-C4' energy: -95.270
flat angles C4'-P-C4' energy: -106.944
flat angles P-C4'-P energy: -73.065
tors. eta vs tors. theta energy: -137.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1481.226096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.226096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.226096 (E_RNA)
where:
Base-Base interactions energy: -990.398
where: short stacking energy: -421.109
Base-Backbone interact. energy: -1.105
local terms energy: -489.723292
where:
bonds (distance) C4'-P energy: -91.776
bonds (distance) P-C4' energy: -96.958
flat angles C4'-P-C4' energy: -120.611
flat angles P-C4'-P energy: -69.747
tors. eta vs tors. theta energy: -110.631
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: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1410.509885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.509885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.509885 (E_RNA)
where:
Base-Base interactions energy: -950.142
where: short stacking energy: -390.501
Base-Backbone interact. energy: 1.294
local terms energy: -461.662494
where:
bonds (distance) C4'-P energy: -100.709
bonds (distance) P-C4' energy: -101.501
flat angles C4'-P-C4' energy: -110.067
flat angles P-C4'-P energy: -55.073
tors. eta vs tors. theta energy: -94.312
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: 5
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1326.667061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.667061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.667061 (E_RNA)
where:
Base-Base interactions energy: -898.102
where: short stacking energy: -391.675
Base-Backbone interact. energy: -1.497
local terms energy: -427.068476
where:
bonds (distance) C4'-P energy: -81.092
bonds (distance) P-C4' energy: -95.328
flat angles C4'-P-C4' energy: -95.931
flat angles P-C4'-P energy: -58.409
tors. eta vs tors. theta energy: -96.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1102.909317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.909317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.909317 (E_RNA)
where:
Base-Base interactions energy: -686.430
where: short stacking energy: -271.711
Base-Backbone interact. energy: -1.733
local terms energy: -414.746508
where:
bonds (distance) C4'-P energy: -89.903
bonds (distance) P-C4' energy: -90.337
flat angles C4'-P-C4' energy: -96.916
flat angles P-C4'-P energy: -73.047
tors. eta vs tors. theta energy: -64.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -900.371283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.371283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.371283 (E_RNA)
where:
Base-Base interactions energy: -545.259
where: short stacking energy: -251.485
Base-Backbone interact. energy: -4.499
local terms energy: -350.612696
where:
bonds (distance) C4'-P energy: -83.754
bonds (distance) P-C4' energy: -98.304
flat angles C4'-P-C4' energy: -75.798
flat angles P-C4'-P energy: -55.436
tors. eta vs tors. theta energy: -37.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -605.606584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.606584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.606584 (E_RNA)
where:
Base-Base interactions energy: -300.546
where: short stacking energy: -190.496
Base-Backbone interact. energy: 2.020
local terms energy: -307.080101
where:
bonds (distance) C4'-P energy: -75.674
bonds (distance) P-C4' energy: -98.000
flat angles C4'-P-C4' energy: -91.956
flat angles P-C4'-P energy: -38.653
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1880.907767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.907767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.907767 (E_RNA)
where:
Base-Base interactions energy: -1298.210
where: short stacking energy: -561.802
Base-Backbone interact. energy: -2.337
local terms energy: -580.361526
where:
bonds (distance) C4'-P energy: -105.216
bonds (distance) P-C4' energy: -111.843
flat angles C4'-P-C4' energy: -124.996
flat angles P-C4'-P energy: -76.993
tors. eta vs tors. theta energy: -161.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1757.151947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.151947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.151947 (E_RNA)
where:
Base-Base interactions energy: -1212.415
where: short stacking energy: -506.384
Base-Backbone interact. energy: -0.826
local terms energy: -543.910999
where:
bonds (distance) C4'-P energy: -100.204
bonds (distance) P-C4' energy: -103.311
flat angles C4'-P-C4' energy: -119.998
flat angles P-C4'-P energy: -72.911
tors. eta vs tors. theta energy: -147.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1657.801278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.801278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.801278 (E_RNA)
where:
Base-Base interactions energy: -1158.113
where: short stacking energy: -489.971
Base-Backbone interact. energy: -2.734
local terms energy: -496.953684
where:
bonds (distance) C4'-P energy: -93.690
bonds (distance) P-C4' energy: -96.151
flat angles C4'-P-C4' energy: -103.888
flat angles P-C4'-P energy: -70.707
tors. eta vs tors. theta energy: -132.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1577.992814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.992814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.992814 (E_RNA)
where:
Base-Base interactions energy: -1076.144
where: short stacking energy: -483.714
Base-Backbone interact. energy: 1.327
local terms energy: -503.175238
where:
bonds (distance) C4'-P energy: -96.608
bonds (distance) P-C4' energy: -106.820
flat angles C4'-P-C4' energy: -113.592
flat angles P-C4'-P energy: -68.122
tors. eta vs tors. theta energy: -118.033
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: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1522.433117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.433117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.433117 (E_RNA)
where:
Base-Base interactions energy: -1027.760
where: short stacking energy: -443.187
Base-Backbone interact. energy: -2.764
local terms energy: -491.909472
where:
bonds (distance) C4'-P energy: -85.810
bonds (distance) P-C4' energy: -100.347
flat angles C4'-P-C4' energy: -109.139
flat angles P-C4'-P energy: -77.468
tors. eta vs tors. theta energy: -119.145
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: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1404.916336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.916336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.916336 (E_RNA)
where:
Base-Base interactions energy: -959.083
where: short stacking energy: -394.192
Base-Backbone interact. energy: -3.310
local terms energy: -442.523347
where:
bonds (distance) C4'-P energy: -82.719
bonds (distance) P-C4' energy: -95.954
flat angles C4'-P-C4' energy: -97.664
flat angles P-C4'-P energy: -59.900
tors. eta vs tors. theta energy: -106.287
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: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1347.735756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.735756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.735756 (E_RNA)
where:
Base-Base interactions energy: -909.952
where: short stacking energy: -383.332
Base-Backbone interact. energy: -2.161
local terms energy: -435.622763
where:
bonds (distance) C4'-P energy: -81.129
bonds (distance) P-C4' energy: -109.539
flat angles C4'-P-C4' energy: -99.737
flat angles P-C4'-P energy: -53.001
tors. eta vs tors. theta energy: -92.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1120.992660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.992660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.992660 (E_RNA)
where:
Base-Base interactions energy: -738.371
where: short stacking energy: -311.723
Base-Backbone interact. energy: 3.790
local terms energy: -386.411743
where:
bonds (distance) C4'-P energy: -89.208
bonds (distance) P-C4' energy: -102.636
flat angles C4'-P-C4' energy: -88.695
flat angles P-C4'-P energy: -50.004
tors. eta vs tors. theta energy: -55.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -857.867167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.867167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.867167 (E_RNA)
where:
Base-Base interactions energy: -529.436
where: short stacking energy: -242.713
Base-Backbone interact. energy: 0.898
local terms energy: -329.329012
where:
bonds (distance) C4'-P energy: -101.997
bonds (distance) P-C4' energy: -105.721
flat angles C4'-P-C4' energy: -71.335
flat angles P-C4'-P energy: -41.249
tors. eta vs tors. theta energy: -9.027
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: 225
Temperature: 1.350000
Total energy: -592.249770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.249770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.249770 (E_RNA)
where:
Base-Base interactions energy: -281.105
where: short stacking energy: -151.146
Base-Backbone interact. energy: -0.901
local terms energy: -310.243686
where:
bonds (distance) C4'-P energy: -90.894
bonds (distance) P-C4' energy: -88.354
flat angles C4'-P-C4' energy: -83.589
flat angles P-C4'-P energy: -42.046
tors. eta vs tors. theta energy: -5.362
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: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1805.032586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.032586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.032586 (E_RNA)
where:
Base-Base interactions energy: -1232.626
where: short stacking energy: -544.953
Base-Backbone interact. energy: -4.210
local terms energy: -568.196962
where:
bonds (distance) C4'-P energy: -102.377
bonds (distance) P-C4' energy: -107.810
flat angles C4'-P-C4' energy: -124.732
flat angles P-C4'-P energy: -87.350
tors. eta vs tors. theta energy: -145.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1788.177673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.177673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.177673 (E_RNA)
where:
Base-Base interactions energy: -1216.210
where: short stacking energy: -536.823
Base-Backbone interact. energy: -1.880
local terms energy: -570.087739
where:
bonds (distance) C4'-P energy: -102.500
bonds (distance) P-C4' energy: -108.490
flat angles C4'-P-C4' energy: -128.200
flat angles P-C4'-P energy: -78.080
tors. eta vs tors. theta energy: -152.818
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: 4
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1700.853949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.853949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.853949 (E_RNA)
where:
Base-Base interactions energy: -1159.144
where: short stacking energy: -490.150
Base-Backbone interact. energy: -2.388
local terms energy: -539.321803
where:
bonds (distance) C4'-P energy: -104.863
bonds (distance) P-C4' energy: -105.947
flat angles C4'-P-C4' energy: -113.616
flat angles P-C4'-P energy: -80.452
tors. eta vs tors. theta energy: -134.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1554.275451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.275451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.275451 (E_RNA)
where:
Base-Base interactions energy: -1052.544
where: short stacking energy: -464.368
Base-Backbone interact. energy: -0.300
local terms energy: -501.430868
where:
bonds (distance) C4'-P energy: -85.595
bonds (distance) P-C4' energy: -87.664
flat angles C4'-P-C4' energy: -118.423
flat angles P-C4'-P energy: -81.406
tors. eta vs tors. theta energy: -128.343
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: 6
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1462.710229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.710229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.710229 (E_RNA)
where:
Base-Base interactions energy: -986.401
where: short stacking energy: -399.096
Base-Backbone interact. energy: -1.264
local terms energy: -475.045429
where:
bonds (distance) C4'-P energy: -96.882
bonds (distance) P-C4' energy: -94.496
flat angles C4'-P-C4' energy: -104.420
flat angles P-C4'-P energy: -79.384
tors. eta vs tors. theta energy: -99.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1419.862501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.862501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.862501 (E_RNA)
where:
Base-Base interactions energy: -941.028
where: short stacking energy: -410.856
Base-Backbone interact. energy: -1.127
local terms energy: -477.707394
where:
bonds (distance) C4'-P energy: -87.257
bonds (distance) P-C4' energy: -101.670
flat angles C4'-P-C4' energy: -105.652
flat angles P-C4'-P energy: -73.639
tors. eta vs tors. theta energy: -109.488
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: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1365.036347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.036347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.036347 (E_RNA)
where:
Base-Base interactions energy: -915.100
where: short stacking energy: -375.783
Base-Backbone interact. energy: -3.061
local terms energy: -446.874693
where:
bonds (distance) C4'-P energy: -97.656
bonds (distance) P-C4' energy: -100.405
flat angles C4'-P-C4' energy: -101.354
flat angles P-C4'-P energy: -51.554
tors. eta vs tors. theta energy: -95.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1111.924568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.924568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.924568 (E_RNA)
where:
Base-Base interactions energy: -702.514
where: short stacking energy: -317.228
Base-Backbone interact. energy: -2.401
local terms energy: -407.009563
where:
bonds (distance) C4'-P energy: -86.237
bonds (distance) P-C4' energy: -88.669
flat angles C4'-P-C4' energy: -100.454
flat angles P-C4'-P energy: -61.652
tors. eta vs tors. theta energy: -69.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -819.404598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.404598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.404598 (E_RNA)
where:
Base-Base interactions energy: -469.540
where: short stacking energy: -224.352
Base-Backbone interact. energy: -1.480
local terms energy: -348.384896
where:
bonds (distance) C4'-P energy: -96.465
bonds (distance) P-C4' energy: -89.942
flat angles C4'-P-C4' energy: -86.725
flat angles P-C4'-P energy: -38.105
tors. eta vs tors. theta energy: -37.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -604.921234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.921234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.921234 (E_RNA)
where:
Base-Base interactions energy: -311.995
where: short stacking energy: -167.642
Base-Backbone interact. energy: 1.660
local terms energy: -294.586039
where:
bonds (distance) C4'-P energy: -85.208
bonds (distance) P-C4' energy: -87.942
flat angles C4'-P-C4' energy: -88.291
flat angles P-C4'-P energy: -29.642
tors. eta vs tors. theta energy: -3.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1828.496636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.496636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.496636 (E_RNA)
where:
Base-Base interactions energy: -1264.921
where: short stacking energy: -545.440
Base-Backbone interact. energy: -2.289
local terms energy: -561.286839
where:
bonds (distance) C4'-P energy: -89.792
bonds (distance) P-C4' energy: -106.235
flat angles C4'-P-C4' energy: -117.297
flat angles P-C4'-P energy: -89.924
tors. eta vs tors. theta energy: -158.038
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: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1809.653822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.653822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.653822 (E_RNA)
where:
Base-Base interactions energy: -1249.001
where: short stacking energy: -531.387
Base-Backbone interact. energy: 0.401
local terms energy: -561.054362
where:
bonds (distance) C4'-P energy: -98.699
bonds (distance) P-C4' energy: -109.581
flat angles C4'-P-C4' energy: -109.750
flat angles P-C4'-P energy: -85.340
tors. eta vs tors. theta energy: -157.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1678.565198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.565198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.565198 (E_RNA)
where:
Base-Base interactions energy: -1155.837
where: short stacking energy: -497.953
Base-Backbone interact. energy: -0.763
local terms energy: -521.964529
where:
bonds (distance) C4'-P energy: -92.145
bonds (distance) P-C4' energy: -92.782
flat angles C4'-P-C4' energy: -112.245
flat angles P-C4'-P energy: -83.082
tors. eta vs tors. theta energy: -141.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1582.149054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.149054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.149054 (E_RNA)
where:
Base-Base interactions energy: -1052.923
where: short stacking energy: -460.961
Base-Backbone interact. energy: -0.687
local terms energy: -528.539252
where:
bonds (distance) C4'-P energy: -92.564
bonds (distance) P-C4' energy: -99.433
flat angles C4'-P-C4' energy: -127.392
flat angles P-C4'-P energy: -79.493
tors. eta vs tors. theta energy: -129.657
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: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1514.170027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.170027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.170027 (E_RNA)
where:
Base-Base interactions energy: -1020.365
where: short stacking energy: -434.236
Base-Backbone interact. energy: -3.554
local terms energy: -490.250820
where:
bonds (distance) C4'-P energy: -82.991
bonds (distance) P-C4' energy: -97.173
flat angles C4'-P-C4' energy: -109.046
flat angles P-C4'-P energy: -74.846
tors. eta vs tors. theta energy: -126.194
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: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1413.832114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.832114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.832114 (E_RNA)
where:
Base-Base interactions energy: -929.831
where: short stacking energy: -404.044
Base-Backbone interact. energy: -3.200
local terms energy: -480.801643
where:
bonds (distance) C4'-P energy: -95.195
bonds (distance) P-C4' energy: -113.631
flat angles C4'-P-C4' energy: -97.080
flat angles P-C4'-P energy: -62.864
tors. eta vs tors. theta energy: -112.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1392.470307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.470307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.470307 (E_RNA)
where:
Base-Base interactions energy: -951.360
where: short stacking energy: -412.245
Base-Backbone interact. energy: -0.504
local terms energy: -440.606877
where:
bonds (distance) C4'-P energy: -102.201
bonds (distance) P-C4' energy: -79.279
flat angles C4'-P-C4' energy: -84.034
flat angles P-C4'-P energy: -68.850
tors. eta vs tors. theta energy: -106.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1146.640176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.640176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.640176 (E_RNA)
where:
Base-Base interactions energy: -748.816
where: short stacking energy: -321.445
Base-Backbone interact. energy: 0.697
local terms energy: -398.521414
where:
bonds (distance) C4'-P energy: -82.205
bonds (distance) P-C4' energy: -95.711
flat angles C4'-P-C4' energy: -104.335
flat angles P-C4'-P energy: -62.970
tors. eta vs tors. theta energy: -53.301
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: 3
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -888.504970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.504970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.504970 (E_RNA)
where:
Base-Base interactions energy: -539.911
where: short stacking energy: -257.947
Base-Backbone interact. energy: 0.510
local terms energy: -349.104235
where:
bonds (distance) C4'-P energy: -79.936
bonds (distance) P-C4' energy: -88.986
flat angles C4'-P-C4' energy: -80.646
flat angles P-C4'-P energy: -52.734
tors. eta vs tors. theta energy: -46.803
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: 227
Temperature: 1.350000
Total energy: -595.512701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.512701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.512701 (E_RNA)
where:
Base-Base interactions energy: -293.524
where: short stacking energy: -191.871
Base-Backbone interact. energy: -2.046
local terms energy: -299.943484
where:
bonds (distance) C4'-P energy: -90.588
bonds (distance) P-C4' energy: -80.297
flat angles C4'-P-C4' energy: -77.371
flat angles P-C4'-P energy: -43.998
tors. eta vs tors. theta energy: -7.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1842.969749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.969749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.969749 (E_RNA)
where:
Base-Base interactions energy: -1272.742
where: short stacking energy: -556.597
Base-Backbone interact. energy: -1.448
local terms energy: -568.779978
where:
bonds (distance) C4'-P energy: -97.645
bonds (distance) P-C4' energy: -105.497
flat angles C4'-P-C4' energy: -123.106
flat angles P-C4'-P energy: -88.672
tors. eta vs tors. theta energy: -153.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1788.088301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.088301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.088301 (E_RNA)
where:
Base-Base interactions energy: -1227.935
where: short stacking energy: -529.399
Base-Backbone interact. energy: -3.156
local terms energy: -556.997933
where:
bonds (distance) C4'-P energy: -100.367
bonds (distance) P-C4' energy: -109.821
flat angles C4'-P-C4' energy: -115.808
flat angles P-C4'-P energy: -80.280
tors. eta vs tors. theta energy: -150.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1671.798530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.798530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.798530 (E_RNA)
where:
Base-Base interactions energy: -1150.468
where: short stacking energy: -478.583
Base-Backbone interact. energy: 1.536
local terms energy: -522.866240
where:
bonds (distance) C4'-P energy: -102.689
bonds (distance) P-C4' energy: -102.776
flat angles C4'-P-C4' energy: -108.135
flat angles P-C4'-P energy: -71.303
tors. eta vs tors. theta energy: -137.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1638.776736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.776736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.776736 (E_RNA)
where:
Base-Base interactions energy: -1109.924
where: short stacking energy: -488.706
Base-Backbone interact. energy: 1.579
local terms energy: -530.432069
where:
bonds (distance) C4'-P energy: -112.981
bonds (distance) P-C4' energy: -95.384
flat angles C4'-P-C4' energy: -116.627
flat angles P-C4'-P energy: -74.160
tors. eta vs tors. theta energy: -131.281
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: 9
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1462.902641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.902641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.902641 (E_RNA)
where:
Base-Base interactions energy: -972.157
where: short stacking energy: -425.817
Base-Backbone interact. energy: -3.096
local terms energy: -487.650128
where:
bonds (distance) C4'-P energy: -97.823
bonds (distance) P-C4' energy: -98.781
flat angles C4'-P-C4' energy: -97.959
flat angles P-C4'-P energy: -77.471
tors. eta vs tors. theta energy: -115.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1460.415218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.415218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.415218 (E_RNA)
where:
Base-Base interactions energy: -995.810
where: short stacking energy: -407.203
Base-Backbone interact. energy: -0.407
local terms energy: -464.198292
where:
bonds (distance) C4'-P energy: -93.564
bonds (distance) P-C4' energy: -97.795
flat angles C4'-P-C4' energy: -93.678
flat angles P-C4'-P energy: -71.659
tors. eta vs tors. theta energy: -107.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1428.520283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.520283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.520283 (E_RNA)
where:
Base-Base interactions energy: -978.710
where: short stacking energy: -421.946
Base-Backbone interact. energy: -2.482
local terms energy: -447.329175
where:
bonds (distance) C4'-P energy: -90.140
bonds (distance) P-C4' energy: -81.776
flat angles C4'-P-C4' energy: -107.990
flat angles P-C4'-P energy: -62.904
tors. eta vs tors. theta energy: -104.520
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: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1140.065266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.065266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.065266 (E_RNA)
where:
Base-Base interactions energy: -742.286
where: short stacking energy: -321.898
Base-Backbone interact. energy: 7.823
local terms energy: -405.602441
where:
bonds (distance) C4'-P energy: -100.351
bonds (distance) P-C4' energy: -77.962
flat angles C4'-P-C4' energy: -97.956
flat angles P-C4'-P energy: -56.330
tors. eta vs tors. theta energy: -73.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -883.313334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.313334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.313334 (E_RNA)
where:
Base-Base interactions energy: -530.936
where: short stacking energy: -252.655
Base-Backbone interact. energy: 5.728
local terms energy: -358.105083
where:
bonds (distance) C4'-P energy: -95.330
bonds (distance) P-C4' energy: -90.753
flat angles C4'-P-C4' energy: -75.805
flat angles P-C4'-P energy: -71.621
tors. eta vs tors. theta energy: -24.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -570.747215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.747215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.747215 (E_RNA)
where:
Base-Base interactions energy: -286.722
where: short stacking energy: -161.370
Base-Backbone interact. energy: -2.985
local terms energy: -281.040188
where:
bonds (distance) C4'-P energy: -88.085
bonds (distance) P-C4' energy: -88.946
flat angles C4'-P-C4' energy: -73.920
flat angles P-C4'-P energy: -37.897
tors. eta vs tors. theta energy: 7.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1833.455376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.455376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.455376 (E_RNA)
where:
Base-Base interactions energy: -1240.133
where: short stacking energy: -541.395
Base-Backbone interact. energy: -1.958
local terms energy: -591.364205
where:
bonds (distance) C4'-P energy: -103.378
bonds (distance) P-C4' energy: -109.390
flat angles C4'-P-C4' energy: -126.877
flat angles P-C4'-P energy: -93.553
tors. eta vs tors. theta energy: -158.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1806.785757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.785757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.785757 (E_RNA)
where:
Base-Base interactions energy: -1265.926
where: short stacking energy: -544.614
Base-Backbone interact. energy: -2.067
local terms energy: -538.793007
where:
bonds (distance) C4'-P energy: -98.386
bonds (distance) P-C4' energy: -91.902
flat angles C4'-P-C4' energy: -119.015
flat angles P-C4'-P energy: -84.949
tors. eta vs tors. theta energy: -144.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1702.401093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.401093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.401093 (E_RNA)
where:
Base-Base interactions energy: -1154.465
where: short stacking energy: -512.772
Base-Backbone interact. energy: -4.008
local terms energy: -543.927965
where:
bonds (distance) C4'-P energy: -100.283
bonds (distance) P-C4' energy: -112.346
flat angles C4'-P-C4' energy: -111.846
flat angles P-C4'-P energy: -77.795
tors. eta vs tors. theta energy: -141.658
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: 4, replica: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1662.178258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.178258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.178258 (E_RNA)
where:
Base-Base interactions energy: -1131.094
where: short stacking energy: -496.652
Base-Backbone interact. energy: -5.239
local terms energy: -525.845526
where:
bonds (distance) C4'-P energy: -82.505
bonds (distance) P-C4' energy: -108.520
flat angles C4'-P-C4' energy: -113.165
flat angles P-C4'-P energy: -74.841
tors. eta vs tors. theta energy: -146.814
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: 5, replica: 9
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1473.514437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.514437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.514437 (E_RNA)
where:
Base-Base interactions energy: -984.794
where: short stacking energy: -406.609
Base-Backbone interact. energy: -2.307
local terms energy: -486.413379
where:
bonds (distance) C4'-P energy: -91.723
bonds (distance) P-C4' energy: -90.097
flat angles C4'-P-C4' energy: -112.387
flat angles P-C4'-P energy: -79.350
tors. eta vs tors. theta energy: -112.856
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: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1435.871968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.871968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.871968 (E_RNA)
where:
Base-Base interactions energy: -986.119
where: short stacking energy: -404.968
Base-Backbone interact. energy: -1.408
local terms energy: -448.345031
where:
bonds (distance) C4'-P energy: -91.558
bonds (distance) P-C4' energy: -97.847
flat angles C4'-P-C4' energy: -94.466
flat angles P-C4'-P energy: -58.294
tors. eta vs tors. theta energy: -106.179
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: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1383.005605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.005605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.005605 (E_RNA)
where:
Base-Base interactions energy: -910.623
where: short stacking energy: -387.657
Base-Backbone interact. energy: -1.216
local terms energy: -471.166287
where:
bonds (distance) C4'-P energy: -97.306
bonds (distance) P-C4' energy: -96.526
flat angles C4'-P-C4' energy: -112.285
flat angles P-C4'-P energy: -66.212
tors. eta vs tors. theta energy: -98.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1175.342769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.342769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.342769 (E_RNA)
where:
Base-Base interactions energy: -764.556
where: short stacking energy: -319.162
Base-Backbone interact. energy: -3.166
local terms energy: -407.620883
where:
bonds (distance) C4'-P energy: -83.289
bonds (distance) P-C4' energy: -100.096
flat angles C4'-P-C4' energy: -87.250
flat angles P-C4'-P energy: -67.629
tors. eta vs tors. theta energy: -69.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -869.302183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.302183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.302183 (E_RNA)
where:
Base-Base interactions energy: -542.754
where: short stacking energy: -245.260
Base-Backbone interact. energy: -0.464
local terms energy: -326.083723
where:
bonds (distance) C4'-P energy: -74.829
bonds (distance) P-C4' energy: -99.484
flat angles C4'-P-C4' energy: -71.535
flat angles P-C4'-P energy: -53.887
tors. eta vs tors. theta energy: -26.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -602.697672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.697672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.697672 (E_RNA)
where:
Base-Base interactions energy: -282.868
where: short stacking energy: -153.429
Base-Backbone interact. energy: -1.593
local terms energy: -318.236683
where:
bonds (distance) C4'-P energy: -84.528
bonds (distance) P-C4' energy: -93.630
flat angles C4'-P-C4' energy: -86.255
flat angles P-C4'-P energy: -52.850
tors. eta vs tors. theta energy: -0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1830.187960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.187960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.187960 (E_RNA)
where:
Base-Base interactions energy: -1262.738
where: short stacking energy: -525.688
Base-Backbone interact. energy: -1.813
local terms energy: -565.636891
where:
bonds (distance) C4'-P energy: -101.101
bonds (distance) P-C4' energy: -114.957
flat angles C4'-P-C4' energy: -133.838
flat angles P-C4'-P energy: -85.104
tors. eta vs tors. theta energy: -130.637
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: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1804.325126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.325126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.325126 (E_RNA)
where:
Base-Base interactions energy: -1223.608
where: short stacking energy: -540.839
Base-Backbone interact. energy: -2.511
local terms energy: -578.205634
where:
bonds (distance) C4'-P energy: -113.898
bonds (distance) P-C4' energy: -101.872
flat angles C4'-P-C4' energy: -122.259
flat angles P-C4'-P energy: -85.349
tors. eta vs tors. theta energy: -154.828
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: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1715.725523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.725523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.725523 (E_RNA)
where:
Base-Base interactions energy: -1170.732
where: short stacking energy: -505.802
Base-Backbone interact. energy: -4.336
local terms energy: -540.658429
where:
bonds (distance) C4'-P energy: -110.740
bonds (distance) P-C4' energy: -106.690
flat angles C4'-P-C4' energy: -122.471
flat angles P-C4'-P energy: -59.388
tors. eta vs tors. theta energy: -141.369
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: 230
Temperature: 1.050000
Total energy: -1606.711755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.711755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.711755 (E_RNA)
where:
Base-Base interactions energy: -1095.546
where: short stacking energy: -464.958
Base-Backbone interact. energy: -1.466
local terms energy: -509.699845
where:
bonds (distance) C4'-P energy: -84.238
bonds (distance) P-C4' energy: -104.316
flat angles C4'-P-C4' energy: -106.046
flat angles P-C4'-P energy: -84.905
tors. eta vs tors. theta energy: -130.195
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: 9
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1449.151718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.151718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.151718 (E_RNA)
where:
Base-Base interactions energy: -971.253
where: short stacking energy: -428.846
Base-Backbone interact. energy: -2.393
local terms energy: -475.505810
where:
bonds (distance) C4'-P energy: -90.161
bonds (distance) P-C4' energy: -91.917
flat angles C4'-P-C4' energy: -117.146
flat angles P-C4'-P energy: -61.143
tors. eta vs tors. theta energy: -115.139
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: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1411.346986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.346986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.346986 (E_RNA)
where:
Base-Base interactions energy: -947.221
where: short stacking energy: -381.927
Base-Backbone interact. energy: -2.351
local terms energy: -461.775297
where:
bonds (distance) C4'-P energy: -104.273
bonds (distance) P-C4' energy: -84.864
flat angles C4'-P-C4' energy: -97.586
flat angles P-C4'-P energy: -72.039
tors. eta vs tors. theta energy: -103.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1322.798430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.798430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.798430 (E_RNA)
where:
Base-Base interactions energy: -896.026
where: short stacking energy: -391.260
Base-Backbone interact. energy: -0.508
local terms energy: -426.263976
where:
bonds (distance) C4'-P energy: -82.120
bonds (distance) P-C4' energy: -81.231
flat angles C4'-P-C4' energy: -106.191
flat angles P-C4'-P energy: -67.191
tors. eta vs tors. theta energy: -89.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1200.590050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.590050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.590050 (E_RNA)
where:
Base-Base interactions energy: -779.541
where: short stacking energy: -343.970
Base-Backbone interact. energy: -0.388
local terms energy: -420.661390
where:
bonds (distance) C4'-P energy: -89.121
bonds (distance) P-C4' energy: -90.769
flat angles C4'-P-C4' energy: -92.910
flat angles P-C4'-P energy: -65.883
tors. eta vs tors. theta energy: -81.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -917.220396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.220396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.220396 (E_RNA)
where:
Base-Base interactions energy: -556.480
where: short stacking energy: -270.609
Base-Backbone interact. energy: -1.306
local terms energy: -359.434138
where:
bonds (distance) C4'-P energy: -90.405
bonds (distance) P-C4' energy: -78.997
flat angles C4'-P-C4' energy: -105.368
flat angles P-C4'-P energy: -41.159
tors. eta vs tors. theta energy: -43.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -588.254107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.254107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.254107 (E_RNA)
where:
Base-Base interactions energy: -271.903
where: short stacking energy: -151.645
Base-Backbone interact. energy: -3.324
local terms energy: -313.026423
where:
bonds (distance) C4'-P energy: -98.517
bonds (distance) P-C4' energy: -80.250
flat angles C4'-P-C4' energy: -92.550
flat angles P-C4'-P energy: -46.293
tors. eta vs tors. theta energy: 4.585
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: 7
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1844.118393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.118393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.118393 (E_RNA)
where:
Base-Base interactions energy: -1275.251
where: short stacking energy: -532.497
Base-Backbone interact. energy: -1.294
local terms energy: -567.572901
where:
bonds (distance) C4'-P energy: -109.122
bonds (distance) P-C4' energy: -99.374
flat angles C4'-P-C4' energy: -120.257
flat angles P-C4'-P energy: -93.884
tors. eta vs tors. theta energy: -144.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1790.042357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.042357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.042357 (E_RNA)
where:
Base-Base interactions energy: -1206.839
where: short stacking energy: -512.626
Base-Backbone interact. energy: -1.574
local terms energy: -581.629522
where:
bonds (distance) C4'-P energy: -112.008
bonds (distance) P-C4' energy: -103.650
flat angles C4'-P-C4' energy: -127.200
flat angles P-C4'-P energy: -91.015
tors. eta vs tors. theta energy: -147.755
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: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1678.698095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.698095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.698095 (E_RNA)
where:
Base-Base interactions energy: -1157.529
where: short stacking energy: -504.497
Base-Backbone interact. energy: -0.348
local terms energy: -520.821093
where:
bonds (distance) C4'-P energy: -105.095
bonds (distance) P-C4' energy: -107.521
flat angles C4'-P-C4' energy: -102.156
flat angles P-C4'-P energy: -64.991
tors. eta vs tors. theta energy: -141.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1620.363880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.363880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.363880 (E_RNA)
where:
Base-Base interactions energy: -1098.544
where: short stacking energy: -478.036
Base-Backbone interact. energy: -1.947
local terms energy: -519.872919
where:
bonds (distance) C4'-P energy: -90.948
bonds (distance) P-C4' energy: -109.525
flat angles C4'-P-C4' energy: -110.437
flat angles P-C4'-P energy: -75.967
tors. eta vs tors. theta energy: -132.996
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: 5, replica: 9
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1427.840576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.840576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.840576 (E_RNA)
where:
Base-Base interactions energy: -973.082
where: short stacking energy: -391.620
Base-Backbone interact. energy: -1.708
local terms energy: -453.050503
where:
bonds (distance) C4'-P energy: -73.726
bonds (distance) P-C4' energy: -92.949
flat angles C4'-P-C4' energy: -121.094
flat angles P-C4'-P energy: -67.991
tors. eta vs tors. theta energy: -97.290
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: 6
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1423.148674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.148674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.148674 (E_RNA)
where:
Base-Base interactions energy: -944.530
where: short stacking energy: -393.470
Base-Backbone interact. energy: 0.465
local terms energy: -479.082915
where:
bonds (distance) C4'-P energy: -88.202
bonds (distance) P-C4' energy: -98.233
flat angles C4'-P-C4' energy: -116.621
flat angles P-C4'-P energy: -74.381
tors. eta vs tors. theta energy: -101.645
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: 7, replica: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1350.100291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.100291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.100291 (E_RNA)
where:
Base-Base interactions energy: -890.913
where: short stacking energy: -382.084
Base-Backbone interact. energy: 1.904
local terms energy: -461.091706
where:
bonds (distance) C4'-P energy: -100.801
bonds (distance) P-C4' energy: -96.603
flat angles C4'-P-C4' energy: -94.117
flat angles P-C4'-P energy: -71.403
tors. eta vs tors. theta energy: -98.169
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: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1143.023490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.023490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.023490 (E_RNA)
where:
Base-Base interactions energy: -767.194
where: short stacking energy: -320.331
Base-Backbone interact. energy: -1.898
local terms energy: -373.931509
where:
bonds (distance) C4'-P energy: -88.646
bonds (distance) P-C4' energy: -73.409
flat angles C4'-P-C4' energy: -93.813
flat angles P-C4'-P energy: -59.555
tors. eta vs tors. theta energy: -58.509
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: 3
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -885.899212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.899212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.899212 (E_RNA)
where:
Base-Base interactions energy: -537.998
where: short stacking energy: -269.747
Base-Backbone interact. energy: -1.720
local terms energy: -346.180612
where:
bonds (distance) C4'-P energy: -87.881
bonds (distance) P-C4' energy: -90.058
flat angles C4'-P-C4' energy: -100.728
flat angles P-C4'-P energy: -42.146
tors. eta vs tors. theta energy: -25.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -568.372003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.372003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.372003 (E_RNA)
where:
Base-Base interactions energy: -276.991
where: short stacking energy: -173.378
Base-Backbone interact. energy: 0.042
local terms energy: -291.423757
where:
bonds (distance) C4'-P energy: -88.179
bonds (distance) P-C4' energy: -91.216
flat angles C4'-P-C4' energy: -60.396
flat angles P-C4'-P energy: -47.971
tors. eta vs tors. theta energy: -3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1829.305320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.305320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.305320 (E_RNA)
where:
Base-Base interactions energy: -1278.896
where: short stacking energy: -540.865
Base-Backbone interact. energy: 2.697
local terms energy: -553.105893
where:
bonds (distance) C4'-P energy: -107.096
bonds (distance) P-C4' energy: -102.968
flat angles C4'-P-C4' energy: -117.903
flat angles P-C4'-P energy: -76.403
tors. eta vs tors. theta energy: -148.736
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: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1752.341873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.341873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.341873 (E_RNA)
where:
Base-Base interactions energy: -1215.992
where: short stacking energy: -508.836
Base-Backbone interact. energy: -1.157
local terms energy: -535.192911
where:
bonds (distance) C4'-P energy: -90.698
bonds (distance) P-C4' energy: -113.722
flat angles C4'-P-C4' energy: -113.407
flat angles P-C4'-P energy: -75.099
tors. eta vs tors. theta energy: -142.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1695.209685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.209685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.209685 (E_RNA)
where:
Base-Base interactions energy: -1146.227
where: short stacking energy: -492.065
Base-Backbone interact. energy: -2.069
local terms energy: -546.914057
where:
bonds (distance) C4'-P energy: -119.008
bonds (distance) P-C4' energy: -116.484
flat angles C4'-P-C4' energy: -110.488
flat angles P-C4'-P energy: -64.342
tors. eta vs tors. theta energy: -136.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1598.805924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.805924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.805924 (E_RNA)
where:
Base-Base interactions energy: -1086.231
where: short stacking energy: -496.002
Base-Backbone interact. energy: 1.718
local terms energy: -514.292000
where:
bonds (distance) C4'-P energy: -87.818
bonds (distance) P-C4' energy: -97.202
flat angles C4'-P-C4' energy: -110.212
flat angles P-C4'-P energy: -75.257
tors. eta vs tors. theta energy: -143.804
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: 9
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1464.171817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.171817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.171817 (E_RNA)
where:
Base-Base interactions energy: -988.823
where: short stacking energy: -426.968
Base-Backbone interact. energy: -1.729
local terms energy: -473.620040
where:
bonds (distance) C4'-P energy: -96.475
bonds (distance) P-C4' energy: -94.182
flat angles C4'-P-C4' energy: -101.528
flat angles P-C4'-P energy: -72.371
tors. eta vs tors. theta energy: -109.064
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: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1412.947147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.947147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.947147 (E_RNA)
where:
Base-Base interactions energy: -957.562
where: short stacking energy: -381.745
Base-Backbone interact. energy: 0.509
local terms energy: -455.893586
where:
bonds (distance) C4'-P energy: -76.995
bonds (distance) P-C4' energy: -85.220
flat angles C4'-P-C4' energy: -117.902
flat angles P-C4'-P energy: -77.457
tors. eta vs tors. theta energy: -98.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1380.230587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.230587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.230587 (E_RNA)
where:
Base-Base interactions energy: -910.876
where: short stacking energy: -389.789
Base-Backbone interact. energy: -0.721
local terms energy: -468.633243
where:
bonds (distance) C4'-P energy: -96.449
bonds (distance) P-C4' energy: -87.397
flat angles C4'-P-C4' energy: -105.002
flat angles P-C4'-P energy: -78.091
tors. eta vs tors. theta energy: -101.694
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: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1109.688028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.688028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.688028 (E_RNA)
where:
Base-Base interactions energy: -722.900
where: short stacking energy: -301.036
Base-Backbone interact. energy: -0.150
local terms energy: -386.637915
where:
bonds (distance) C4'-P energy: -91.164
bonds (distance) P-C4' energy: -89.009
flat angles C4'-P-C4' energy: -84.633
flat angles P-C4'-P energy: -61.115
tors. eta vs tors. theta energy: -60.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -895.911227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.911227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.911227 (E_RNA)
where:
Base-Base interactions energy: -562.255
where: short stacking energy: -236.393
Base-Backbone interact. energy: 2.351
local terms energy: -336.007010
where:
bonds (distance) C4'-P energy: -87.706
bonds (distance) P-C4' energy: -90.099
flat angles C4'-P-C4' energy: -76.211
flat angles P-C4'-P energy: -54.601
tors. eta vs tors. theta energy: -27.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -483.730325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.730325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.730325 (E_RNA)
where:
Base-Base interactions energy: -185.248
where: short stacking energy: -124.081
Base-Backbone interact. energy: 0.416
local terms energy: -298.898466
where:
bonds (distance) C4'-P energy: -90.268
bonds (distance) P-C4' energy: -100.877
flat angles C4'-P-C4' energy: -86.523
flat angles P-C4'-P energy: -39.661
tors. eta vs tors. theta energy: 18.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1818.665531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.665531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.665531 (E_RNA)
where:
Base-Base interactions energy: -1250.554
where: short stacking energy: -523.366
Base-Backbone interact. energy: -3.170
local terms energy: -564.941944
where:
bonds (distance) C4'-P energy: -107.188
bonds (distance) P-C4' energy: -110.119
flat angles C4'-P-C4' energy: -116.162
flat angles P-C4'-P energy: -87.233
tors. eta vs tors. theta energy: -144.240
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: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1810.692287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.692287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.692287 (E_RNA)
where:
Base-Base interactions energy: -1242.293
where: short stacking energy: -558.618
Base-Backbone interact. energy: -2.204
local terms energy: -566.195195
where:
bonds (distance) C4'-P energy: -96.677
bonds (distance) P-C4' energy: -113.251
flat angles C4'-P-C4' energy: -116.970
flat angles P-C4'-P energy: -72.965
tors. eta vs tors. theta energy: -166.332
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: 4
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1680.832580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.832580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.832580 (E_RNA)
where:
Base-Base interactions energy: -1136.658
where: short stacking energy: -488.501
Base-Backbone interact. energy: -2.915
local terms energy: -541.260042
where:
bonds (distance) C4'-P energy: -108.088
bonds (distance) P-C4' energy: -117.707
flat angles C4'-P-C4' energy: -116.062
flat angles P-C4'-P energy: -65.764
tors. eta vs tors. theta energy: -133.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1600.421666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.421666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.421666 (E_RNA)
where:
Base-Base interactions energy: -1085.455
where: short stacking energy: -478.536
Base-Backbone interact. energy: -1.938
local terms energy: -513.029382
where:
bonds (distance) C4'-P energy: -103.398
bonds (distance) P-C4' energy: -103.566
flat angles C4'-P-C4' energy: -114.808
flat angles P-C4'-P energy: -58.182
tors. eta vs tors. theta energy: -133.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1449.925499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.925499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.925499 (E_RNA)
where:
Base-Base interactions energy: -977.237
where: short stacking energy: -413.415
Base-Backbone interact. energy: 3.166
local terms energy: -475.854450
where:
bonds (distance) C4'-P energy: -109.268
bonds (distance) P-C4' energy: -99.905
flat angles C4'-P-C4' energy: -89.500
flat angles P-C4'-P energy: -66.116
tors. eta vs tors. theta energy: -111.066
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: 6, replica: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1396.023178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.023178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.023178 (E_RNA)
where:
Base-Base interactions energy: -934.560
where: short stacking energy: -396.826
Base-Backbone interact. energy: -1.870
local terms energy: -459.593624
where:
bonds (distance) C4'-P energy: -90.179
bonds (distance) P-C4' energy: -105.736
flat angles C4'-P-C4' energy: -100.045
flat angles P-C4'-P energy: -61.286
tors. eta vs tors. theta energy: -102.346
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: 233
Temperature: 1.200000
Total energy: -1376.870340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.870340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.870340 (E_RNA)
where:
Base-Base interactions energy: -919.654
where: short stacking energy: -391.023
Base-Backbone interact. energy: -1.928
local terms energy: -455.288428
where:
bonds (distance) C4'-P energy: -91.611
bonds (distance) P-C4' energy: -85.510
flat angles C4'-P-C4' energy: -100.869
flat angles P-C4'-P energy: -61.514
tors. eta vs tors. theta energy: -115.784
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: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1161.846154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.846154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.846154 (E_RNA)
where:
Base-Base interactions energy: -746.520
where: short stacking energy: -343.376
Base-Backbone interact. energy: -1.278
local terms energy: -414.047742
where:
bonds (distance) C4'-P energy: -108.460
bonds (distance) P-C4' energy: -77.837
flat angles C4'-P-C4' energy: -91.564
flat angles P-C4'-P energy: -71.825
tors. eta vs tors. theta energy: -64.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -914.436362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.436362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.436362 (E_RNA)
where:
Base-Base interactions energy: -548.231
where: short stacking energy: -247.525
Base-Backbone interact. energy: 0.491
local terms energy: -366.696766
where:
bonds (distance) C4'-P energy: -100.886
bonds (distance) P-C4' energy: -97.262
flat angles C4'-P-C4' energy: -90.976
flat angles P-C4'-P energy: -37.897
tors. eta vs tors. theta energy: -39.676
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: 233
Temperature: 1.350000
Total energy: -476.909282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.909282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.909282 (E_RNA)
where:
Base-Base interactions energy: -176.978
where: short stacking energy: -135.416
Base-Backbone interact. energy: 0.046
local terms energy: -299.977169
where:
bonds (distance) C4'-P energy: -90.355
bonds (distance) P-C4' energy: -94.108
flat angles C4'-P-C4' energy: -84.320
flat angles P-C4'-P energy: -42.755
tors. eta vs tors. theta energy: 11.561
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: 1, replica: 7
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1792.748813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.748813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.748813 (E_RNA)
where:
Base-Base interactions energy: -1212.322
where: short stacking energy: -538.410
Base-Backbone interact. energy: -1.750
local terms energy: -578.676401
where:
bonds (distance) C4'-P energy: -109.980
bonds (distance) P-C4' energy: -109.794
flat angles C4'-P-C4' energy: -130.869
flat angles P-C4'-P energy: -72.501
tors. eta vs tors. theta energy: -155.533
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: 234
Temperature: 0.950000
Total energy: -1768.380504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.380504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.380504 (E_RNA)
where:
Base-Base interactions energy: -1208.266
where: short stacking energy: -536.081
Base-Backbone interact. energy: -1.764
local terms energy: -558.350619
where:
bonds (distance) C4'-P energy: -106.846
bonds (distance) P-C4' energy: -106.755
flat angles C4'-P-C4' energy: -113.981
flat angles P-C4'-P energy: -81.402
tors. eta vs tors. theta energy: -149.366
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: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1727.814524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.814524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.814524 (E_RNA)
where:
Base-Base interactions energy: -1192.665
where: short stacking energy: -517.923
Base-Backbone interact. energy: -3.674
local terms energy: -531.476397
where:
bonds (distance) C4'-P energy: -100.966
bonds (distance) P-C4' energy: -100.192
flat angles C4'-P-C4' energy: -113.342
flat angles P-C4'-P energy: -75.493
tors. eta vs tors. theta energy: -141.484
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: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1597.015974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.015974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.015974 (E_RNA)
where:
Base-Base interactions energy: -1071.911
where: short stacking energy: -468.693
Base-Backbone interact. energy: -1.287
local terms energy: -523.818281
where:
bonds (distance) C4'-P energy: -94.234
bonds (distance) P-C4' energy: -97.432
flat angles C4'-P-C4' energy: -120.516
flat angles P-C4'-P energy: -87.749
tors. eta vs tors. theta energy: -123.888
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: 234
Temperature: 1.100000
Total energy: -1467.402386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.402386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.402386 (E_RNA)
where:
Base-Base interactions energy: -992.152
where: short stacking energy: -428.437
Base-Backbone interact. energy: 6.674
local terms energy: -481.924058
where:
bonds (distance) C4'-P energy: -102.491
bonds (distance) P-C4' energy: -94.484
flat angles C4'-P-C4' energy: -108.501
flat angles P-C4'-P energy: -72.934
tors. eta vs tors. theta energy: -103.514
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: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1445.262592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.262592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.262592 (E_RNA)
where:
Base-Base interactions energy: -985.993
where: short stacking energy: -428.052
Base-Backbone interact. energy: 1.389
local terms energy: -460.657864
where:
bonds (distance) C4'-P energy: -94.796
bonds (distance) P-C4' energy: -78.909
flat angles C4'-P-C4' energy: -102.775
flat angles P-C4'-P energy: -61.034
tors. eta vs tors. theta energy: -123.143
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: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1367.971939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.971939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.971939 (E_RNA)
where:
Base-Base interactions energy: -929.064
where: short stacking energy: -391.257
Base-Backbone interact. energy: -0.316
local terms energy: -438.591778
where:
bonds (distance) C4'-P energy: -94.344
bonds (distance) P-C4' energy: -89.791
flat angles C4'-P-C4' energy: -86.413
flat angles P-C4'-P energy: -61.639
tors. eta vs tors. theta energy: -106.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1162.299193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.299193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.299193 (E_RNA)
where:
Base-Base interactions energy: -756.605
where: short stacking energy: -324.009
Base-Backbone interact. energy: -2.404
local terms energy: -403.289944
where:
bonds (distance) C4'-P energy: -89.476
bonds (distance) P-C4' energy: -98.363
flat angles C4'-P-C4' energy: -76.901
flat angles P-C4'-P energy: -56.940
tors. eta vs tors. theta energy: -81.610
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: 3
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -793.722645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.722645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.722645 (E_RNA)
where:
Base-Base interactions energy: -483.958
where: short stacking energy: -213.899
Base-Backbone interact. energy: -2.743
local terms energy: -307.021302
where:
bonds (distance) C4'-P energy: -81.992
bonds (distance) P-C4' energy: -92.577
flat angles C4'-P-C4' energy: -75.957
flat angles P-C4'-P energy: -48.380
tors. eta vs tors. theta energy: -8.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -532.699230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.699230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.699230 (E_RNA)
where:
Base-Base interactions energy: -241.619
where: short stacking energy: -153.291
Base-Backbone interact. energy: -0.284
local terms energy: -290.796492
where:
bonds (distance) C4'-P energy: -75.966
bonds (distance) P-C4' energy: -101.263
flat angles C4'-P-C4' energy: -85.319
flat angles P-C4'-P energy: -38.924
tors. eta vs tors. theta energy: 10.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1799.184399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.184399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.184399 (E_RNA)
where:
Base-Base interactions energy: -1215.113
where: short stacking energy: -534.294
Base-Backbone interact. energy: -3.002
local terms energy: -581.069223
where:
bonds (distance) C4'-P energy: -110.902
bonds (distance) P-C4' energy: -115.639
flat angles C4'-P-C4' energy: -111.651
flat angles P-C4'-P energy: -92.031
tors. eta vs tors. theta energy: -150.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1795.257078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.257078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.257078 (E_RNA)
where:
Base-Base interactions energy: -1220.443
where: short stacking energy: -524.834
Base-Backbone interact. energy: -3.744
local terms energy: -571.070083
where:
bonds (distance) C4'-P energy: -97.227
bonds (distance) P-C4' energy: -111.906
flat angles C4'-P-C4' energy: -131.624
flat angles P-C4'-P energy: -77.648
tors. eta vs tors. theta energy: -152.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1695.756446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.756446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.756446 (E_RNA)
where:
Base-Base interactions energy: -1178.099
where: short stacking energy: -480.985
Base-Backbone interact. energy: 0.562
local terms energy: -518.219507
where:
bonds (distance) C4'-P energy: -94.671
bonds (distance) P-C4' energy: -108.331
flat angles C4'-P-C4' energy: -110.481
flat angles P-C4'-P energy: -73.236
tors. eta vs tors. theta energy: -131.501
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: 235
Temperature: 1.050000
Total energy: -1607.054338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.054338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.054338 (E_RNA)
where:
Base-Base interactions energy: -1069.629
where: short stacking energy: -458.169
Base-Backbone interact. energy: -2.103
local terms energy: -535.322914
where:
bonds (distance) C4'-P energy: -99.963
bonds (distance) P-C4' energy: -113.620
flat angles C4'-P-C4' energy: -113.154
flat angles P-C4'-P energy: -72.689
tors. eta vs tors. theta energy: -135.898
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: 9
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1520.340909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.340909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.340909 (E_RNA)
where:
Base-Base interactions energy: -1004.088
where: short stacking energy: -447.448
Base-Backbone interact. energy: -1.030
local terms energy: -515.223218
where:
bonds (distance) C4'-P energy: -101.363
bonds (distance) P-C4' energy: -103.278
flat angles C4'-P-C4' energy: -122.105
flat angles P-C4'-P energy: -70.361
tors. eta vs tors. theta energy: -118.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1467.477975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.477975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.477975 (E_RNA)
where:
Base-Base interactions energy: -1004.640
where: short stacking energy: -442.499
Base-Backbone interact. energy: 5.469
local terms energy: -468.307579
where:
bonds (distance) C4'-P energy: -101.059
bonds (distance) P-C4' energy: -82.652
flat angles C4'-P-C4' energy: -95.786
flat angles P-C4'-P energy: -74.839
tors. eta vs tors. theta energy: -113.972
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: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1401.243085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.243085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.243085 (E_RNA)
where:
Base-Base interactions energy: -955.667
where: short stacking energy: -416.067
Base-Backbone interact. energy: 1.930
local terms energy: -447.505854
where:
bonds (distance) C4'-P energy: -91.871
bonds (distance) P-C4' energy: -86.170
flat angles C4'-P-C4' energy: -93.959
flat angles P-C4'-P energy: -73.953
tors. eta vs tors. theta energy: -101.554
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: 8, replica: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1165.333569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.333569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.333569 (E_RNA)
where:
Base-Base interactions energy: -742.317
where: short stacking energy: -330.424
Base-Backbone interact. energy: -1.562
local terms energy: -421.454561
where:
bonds (distance) C4'-P energy: -98.770
bonds (distance) P-C4' energy: -95.783
flat angles C4'-P-C4' energy: -90.005
flat angles P-C4'-P energy: -64.954
tors. eta vs tors. theta energy: -71.943
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: 3
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -761.466431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.466431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.466431 (E_RNA)
where:
Base-Base interactions energy: -429.325
where: short stacking energy: -230.340
Base-Backbone interact. energy: -1.095
local terms energy: -331.047030
where:
bonds (distance) C4'-P energy: -81.070
bonds (distance) P-C4' energy: -100.229
flat angles C4'-P-C4' energy: -93.170
flat angles P-C4'-P energy: -36.799
tors. eta vs tors. theta energy: -19.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -459.809658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.809658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.809658 (E_RNA)
where:
Base-Base interactions energy: -170.047
where: short stacking energy: -112.400
Base-Backbone interact. energy: -2.515
local terms energy: -287.247986
where:
bonds (distance) C4'-P energy: -99.767
bonds (distance) P-C4' energy: -97.070
flat angles C4'-P-C4' energy: -66.491
flat angles P-C4'-P energy: -36.687
tors. eta vs tors. theta energy: 12.767
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: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1856.139418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.139418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.139418 (E_RNA)
where:
Base-Base interactions energy: -1260.503
where: short stacking energy: -514.665
Base-Backbone interact. energy: -2.237
local terms energy: -593.399573
where:
bonds (distance) C4'-P energy: -119.815
bonds (distance) P-C4' energy: -108.856
flat angles C4'-P-C4' energy: -121.597
flat angles P-C4'-P energy: -88.537
tors. eta vs tors. theta energy: -154.595
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: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1781.228581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.228581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.228581 (E_RNA)
where:
Base-Base interactions energy: -1225.304
where: short stacking energy: -524.916
Base-Backbone interact. energy: -1.584
local terms energy: -554.340403
where:
bonds (distance) C4'-P energy: -102.906
bonds (distance) P-C4' energy: -101.566
flat angles C4'-P-C4' energy: -119.687
flat angles P-C4'-P energy: -82.611
tors. eta vs tors. theta energy: -147.571
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: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1670.932368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.932368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.932368 (E_RNA)
where:
Base-Base interactions energy: -1156.717
where: short stacking energy: -496.297
Base-Backbone interact. energy: -1.977
local terms energy: -512.238288
where:
bonds (distance) C4'-P energy: -89.818
bonds (distance) P-C4' energy: -104.302
flat angles C4'-P-C4' energy: -119.766
flat angles P-C4'-P energy: -67.731
tors. eta vs tors. theta energy: -130.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1656.595017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.595017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.595017 (E_RNA)
where:
Base-Base interactions energy: -1132.605
where: short stacking energy: -479.646
Base-Backbone interact. energy: 3.625
local terms energy: -527.615731
where:
bonds (distance) C4'-P energy: -95.092
bonds (distance) P-C4' energy: -99.899
flat angles C4'-P-C4' energy: -109.358
flat angles P-C4'-P energy: -83.316
tors. eta vs tors. theta energy: -139.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1507.580741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.580741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.580741 (E_RNA)
where:
Base-Base interactions energy: -1019.699
where: short stacking energy: -429.193
Base-Backbone interact. energy: 0.858
local terms energy: -488.739943
where:
bonds (distance) C4'-P energy: -102.951
bonds (distance) P-C4' energy: -86.868
flat angles C4'-P-C4' energy: -118.573
flat angles P-C4'-P energy: -62.625
tors. eta vs tors. theta energy: -117.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1434.922422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.922422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.922422 (E_RNA)
where:
Base-Base interactions energy: -973.420
where: short stacking energy: -411.613
Base-Backbone interact. energy: -1.877
local terms energy: -459.625958
where:
bonds (distance) C4'-P energy: -80.796
bonds (distance) P-C4' energy: -95.542
flat angles C4'-P-C4' energy: -112.356
flat angles P-C4'-P energy: -69.694
tors. eta vs tors. theta energy: -101.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1426.875908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.875908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.875908 (E_RNA)
where:
Base-Base interactions energy: -956.388
where: short stacking energy: -420.648
Base-Backbone interact. energy: -0.860
local terms energy: -469.627710
where:
bonds (distance) C4'-P energy: -101.751
bonds (distance) P-C4' energy: -83.776
flat angles C4'-P-C4' energy: -105.809
flat angles P-C4'-P energy: -69.072
tors. eta vs tors. theta energy: -109.220
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: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1121.825957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.825957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.825957 (E_RNA)
where:
Base-Base interactions energy: -732.128
where: short stacking energy: -323.431
Base-Backbone interact. energy: -1.830
local terms energy: -387.868277
where:
bonds (distance) C4'-P energy: -99.702
bonds (distance) P-C4' energy: -82.525
flat angles C4'-P-C4' energy: -92.757
flat angles P-C4'-P energy: -53.972
tors. eta vs tors. theta energy: -58.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -788.370039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.370039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.370039 (E_RNA)
where:
Base-Base interactions energy: -450.573
where: short stacking energy: -219.678
Base-Backbone interact. energy: 3.635
local terms energy: -341.432184
where:
bonds (distance) C4'-P energy: -80.705
bonds (distance) P-C4' energy: -95.959
flat angles C4'-P-C4' energy: -95.082
flat angles P-C4'-P energy: -45.033
tors. eta vs tors. theta energy: -24.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -463.264563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.264563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.264563 (E_RNA)
where:
Base-Base interactions energy: -211.817
where: short stacking energy: -132.678
Base-Backbone interact. energy: -1.344
local terms energy: -250.104074
where:
bonds (distance) C4'-P energy: -75.654
bonds (distance) P-C4' energy: -87.419
flat angles C4'-P-C4' energy: -49.857
flat angles P-C4'-P energy: -37.291
tors. eta vs tors. theta energy: 0.117
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: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1817.452807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.452807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.452807 (E_RNA)
where:
Base-Base interactions energy: -1231.779
where: short stacking energy: -543.574
Base-Backbone interact. energy: 0.425
local terms energy: -586.098835
where:
bonds (distance) C4'-P energy: -115.064
bonds (distance) P-C4' energy: -110.597
flat angles C4'-P-C4' energy: -128.689
flat angles P-C4'-P energy: -85.373
tors. eta vs tors. theta energy: -146.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1795.731871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.731871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.731871 (E_RNA)
where:
Base-Base interactions energy: -1238.225
where: short stacking energy: -542.866
Base-Backbone interact. energy: 0.023
local terms energy: -557.529725
where:
bonds (distance) C4'-P energy: -109.880
bonds (distance) P-C4' energy: -105.732
flat angles C4'-P-C4' energy: -120.171
flat angles P-C4'-P energy: -78.618
tors. eta vs tors. theta energy: -143.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1705.038234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.038234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.038234 (E_RNA)
where:
Base-Base interactions energy: -1163.970
where: short stacking energy: -503.292
Base-Backbone interact. energy: -2.140
local terms energy: -538.928659
where:
bonds (distance) C4'-P energy: -105.211
bonds (distance) P-C4' energy: -105.121
flat angles C4'-P-C4' energy: -110.114
flat angles P-C4'-P energy: -71.193
tors. eta vs tors. theta energy: -147.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1628.772667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.772667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.772667 (E_RNA)
where:
Base-Base interactions energy: -1109.942
where: short stacking energy: -486.924
Base-Backbone interact. energy: 2.059
local terms energy: -520.889768
where:
bonds (distance) C4'-P energy: -105.889
bonds (distance) P-C4' energy: -92.718
flat angles C4'-P-C4' energy: -94.826
flat angles P-C4'-P energy: -79.843
tors. eta vs tors. theta energy: -147.614
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: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1529.811437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.811437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.811437 (E_RNA)
where:
Base-Base interactions energy: -1064.880
where: short stacking energy: -455.494
Base-Backbone interact. energy: 3.520
local terms energy: -468.451354
where:
bonds (distance) C4'-P energy: -85.228
bonds (distance) P-C4' energy: -95.281
flat angles C4'-P-C4' energy: -107.691
flat angles P-C4'-P energy: -62.248
tors. eta vs tors. theta energy: -118.003
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: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1419.763264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.763264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.763264 (E_RNA)
where:
Base-Base interactions energy: -955.394
where: short stacking energy: -409.241
Base-Backbone interact. energy: -0.692
local terms energy: -463.677776
where:
bonds (distance) C4'-P energy: -99.584
bonds (distance) P-C4' energy: -101.301
flat angles C4'-P-C4' energy: -98.251
flat angles P-C4'-P energy: -63.703
tors. eta vs tors. theta energy: -100.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1385.512072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.512072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.512072 (E_RNA)
where:
Base-Base interactions energy: -938.714
where: short stacking energy: -392.793
Base-Backbone interact. energy: -0.465
local terms energy: -446.333256
where:
bonds (distance) C4'-P energy: -93.151
bonds (distance) P-C4' energy: -86.442
flat angles C4'-P-C4' energy: -103.377
flat angles P-C4'-P energy: -59.690
tors. eta vs tors. theta energy: -103.674
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: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1163.400645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.400645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.400645 (E_RNA)
where:
Base-Base interactions energy: -780.073
where: short stacking energy: -343.453
Base-Backbone interact. energy: -2.270
local terms energy: -381.057741
where:
bonds (distance) C4'-P energy: -87.296
bonds (distance) P-C4' energy: -89.394
flat angles C4'-P-C4' energy: -87.341
flat angles P-C4'-P energy: -50.415
tors. eta vs tors. theta energy: -66.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -819.881367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.881367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.881367 (E_RNA)
where:
Base-Base interactions energy: -468.052
where: short stacking energy: -207.628
Base-Backbone interact. energy: -2.587
local terms energy: -349.242123
where:
bonds (distance) C4'-P energy: -90.638
bonds (distance) P-C4' energy: -91.066
flat angles C4'-P-C4' energy: -83.758
flat angles P-C4'-P energy: -63.507
tors. eta vs tors. theta energy: -20.272
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: 237
Temperature: 1.350000
Total energy: -580.919754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.919754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.919754 (E_RNA)
where:
Base-Base interactions energy: -297.299
where: short stacking energy: -189.827
Base-Backbone interact. energy: -0.204
local terms energy: -283.416899
where:
bonds (distance) C4'-P energy: -75.242
bonds (distance) P-C4' energy: -83.924
flat angles C4'-P-C4' energy: -75.877
flat angles P-C4'-P energy: -55.599
tors. eta vs tors. theta energy: 7.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1841.825603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.825603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.825603 (E_RNA)
where:
Base-Base interactions energy: -1254.220
where: short stacking energy: -563.363
Base-Backbone interact. energy: 3.025
local terms energy: -590.630170
where:
bonds (distance) C4'-P energy: -108.201
bonds (distance) P-C4' energy: -114.515
flat angles C4'-P-C4' energy: -122.559
flat angles P-C4'-P energy: -95.494
tors. eta vs tors. theta energy: -149.862
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: 7
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1765.587667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.587667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.587667 (E_RNA)
where:
Base-Base interactions energy: -1205.393
where: short stacking energy: -509.085
Base-Backbone interact. energy: -3.087
local terms energy: -557.107934
where:
bonds (distance) C4'-P energy: -114.788
bonds (distance) P-C4' energy: -104.515
flat angles C4'-P-C4' energy: -118.175
flat angles P-C4'-P energy: -77.862
tors. eta vs tors. theta energy: -141.769
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: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1763.494866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.494866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.494866 (E_RNA)
where:
Base-Base interactions energy: -1203.021
where: short stacking energy: -508.407
Base-Backbone interact. energy: -4.917
local terms energy: -555.556630
where:
bonds (distance) C4'-P energy: -114.007
bonds (distance) P-C4' energy: -93.450
flat angles C4'-P-C4' energy: -118.642
flat angles P-C4'-P energy: -75.309
tors. eta vs tors. theta energy: -154.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1601.809073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.809073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.809073 (E_RNA)
where:
Base-Base interactions energy: -1083.906
where: short stacking energy: -482.080
Base-Backbone interact. energy: -1.588
local terms energy: -516.315294
where:
bonds (distance) C4'-P energy: -86.296
bonds (distance) P-C4' energy: -109.829
flat angles C4'-P-C4' energy: -109.860
flat angles P-C4'-P energy: -82.396
tors. eta vs tors. theta energy: -127.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1496.680860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.680860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.680860 (E_RNA)
where:
Base-Base interactions energy: -1030.860
where: short stacking energy: -463.910
Base-Backbone interact. energy: -1.539
local terms energy: -464.282659
where:
bonds (distance) C4'-P energy: -72.259
bonds (distance) P-C4' energy: -106.301
flat angles C4'-P-C4' energy: -99.426
flat angles P-C4'-P energy: -70.230
tors. eta vs tors. theta energy: -116.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1349.470884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.470884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.470884 (E_RNA)
where:
Base-Base interactions energy: -900.464
where: short stacking energy: -396.963
Base-Backbone interact. energy: -1.074
local terms energy: -447.933205
where:
bonds (distance) C4'-P energy: -81.926
bonds (distance) P-C4' energy: -103.936
flat angles C4'-P-C4' energy: -106.463
flat angles P-C4'-P energy: -62.985
tors. eta vs tors. theta energy: -92.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1346.870832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.870832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.870832 (E_RNA)
where:
Base-Base interactions energy: -905.334
where: short stacking energy: -406.888
Base-Backbone interact. energy: -0.877
local terms energy: -440.659483
where:
bonds (distance) C4'-P energy: -85.150
bonds (distance) P-C4' energy: -104.032
flat angles C4'-P-C4' energy: -77.994
flat angles P-C4'-P energy: -61.289
tors. eta vs tors. theta energy: -112.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1127.355447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.355447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.355447 (E_RNA)
where:
Base-Base interactions energy: -713.500
where: short stacking energy: -314.124
Base-Backbone interact. energy: 0.830
local terms energy: -414.685199
where:
bonds (distance) C4'-P energy: -88.327
bonds (distance) P-C4' energy: -91.326
flat angles C4'-P-C4' energy: -107.535
flat angles P-C4'-P energy: -64.751
tors. eta vs tors. theta energy: -62.747
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: 3
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -832.524242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.524242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.524242 (E_RNA)
where:
Base-Base interactions energy: -497.817
where: short stacking energy: -243.331
Base-Backbone interact. energy: -0.361
local terms energy: -334.346951
where:
bonds (distance) C4'-P energy: -95.159
bonds (distance) P-C4' energy: -86.925
flat angles C4'-P-C4' energy: -75.529
flat angles P-C4'-P energy: -46.218
tors. eta vs tors. theta energy: -30.517
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: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -569.232580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.232580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.232580 (E_RNA)
where:
Base-Base interactions energy: -263.556
where: short stacking energy: -134.815
Base-Backbone interact. energy: 5.652
local terms energy: -311.329165
where:
bonds (distance) C4'-P energy: -85.758
bonds (distance) P-C4' energy: -100.482
flat angles C4'-P-C4' energy: -88.140
flat angles P-C4'-P energy: -55.083
tors. eta vs tors. theta energy: 18.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1834.609514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.609514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.609514 (E_RNA)
where:
Base-Base interactions energy: -1247.670
where: short stacking energy: -559.843
Base-Backbone interact. energy: -1.076
local terms energy: -585.863352
where:
bonds (distance) C4'-P energy: -98.019
bonds (distance) P-C4' energy: -103.202
flat angles C4'-P-C4' energy: -130.900
flat angles P-C4'-P energy: -95.535
tors. eta vs tors. theta energy: -158.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1735.730365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.730365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.730365 (E_RNA)
where:
Base-Base interactions energy: -1178.617
where: short stacking energy: -506.613
Base-Backbone interact. energy: -2.401
local terms energy: -554.712512
where:
bonds (distance) C4'-P energy: -98.330
bonds (distance) P-C4' energy: -124.341
flat angles C4'-P-C4' energy: -118.052
flat angles P-C4'-P energy: -73.749
tors. eta vs tors. theta energy: -140.240
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: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1713.729721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.729721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.729721 (E_RNA)
where:
Base-Base interactions energy: -1184.348
where: short stacking energy: -518.921
Base-Backbone interact. energy: -5.015
local terms energy: -524.366562
where:
bonds (distance) C4'-P energy: -90.564
bonds (distance) P-C4' energy: -102.887
flat angles C4'-P-C4' energy: -126.708
flat angles P-C4'-P energy: -62.439
tors. eta vs tors. theta energy: -141.769
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: 4, replica: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1569.600926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.600926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.600926 (E_RNA)
where:
Base-Base interactions energy: -1067.277
where: short stacking energy: -455.362
Base-Backbone interact. energy: 1.777
local terms energy: -504.101740
where:
bonds (distance) C4'-P energy: -98.924
bonds (distance) P-C4' energy: -95.250
flat angles C4'-P-C4' energy: -100.395
flat angles P-C4'-P energy: -70.256
tors. eta vs tors. theta energy: -139.277
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: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1544.949599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.949599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.949599 (E_RNA)
where:
Base-Base interactions energy: -1039.769
where: short stacking energy: -435.935
Base-Backbone interact. energy: 2.039
local terms energy: -507.219910
where:
bonds (distance) C4'-P energy: -97.193
bonds (distance) P-C4' energy: -104.984
flat angles C4'-P-C4' energy: -113.304
flat angles P-C4'-P energy: -71.090
tors. eta vs tors. theta energy: -120.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1391.440571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.440571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.440571 (E_RNA)
where:
Base-Base interactions energy: -934.827
where: short stacking energy: -396.467
Base-Backbone interact. energy: -1.411
local terms energy: -455.202618
where:
bonds (distance) C4'-P energy: -88.761
bonds (distance) P-C4' energy: -103.123
flat angles C4'-P-C4' energy: -95.177
flat angles P-C4'-P energy: -70.296
tors. eta vs tors. theta energy: -97.845
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: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1338.606929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.606929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.606929 (E_RNA)
where:
Base-Base interactions energy: -877.198
where: short stacking energy: -383.245
Base-Backbone interact. energy: -3.195
local terms energy: -458.214057
where:
bonds (distance) C4'-P energy: -94.414
bonds (distance) P-C4' energy: -94.696
flat angles C4'-P-C4' energy: -105.998
flat angles P-C4'-P energy: -73.896
tors. eta vs tors. theta energy: -89.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1123.924147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.924147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.924147 (E_RNA)
where:
Base-Base interactions energy: -702.829
where: short stacking energy: -304.340
Base-Backbone interact. energy: -0.274
local terms energy: -420.821329
where:
bonds (distance) C4'-P energy: -95.859
bonds (distance) P-C4' energy: -108.358
flat angles C4'-P-C4' energy: -95.907
flat angles P-C4'-P energy: -63.541
tors. eta vs tors. theta energy: -57.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -905.608871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.608871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.608871 (E_RNA)
where:
Base-Base interactions energy: -561.974
where: short stacking energy: -277.131
Base-Backbone interact. energy: -2.582
local terms energy: -341.053668
where:
bonds (distance) C4'-P energy: -84.960
bonds (distance) P-C4' energy: -85.878
flat angles C4'-P-C4' energy: -77.318
flat angles P-C4'-P energy: -55.328
tors. eta vs tors. theta energy: -37.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -489.176140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.176140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.176140 (E_RNA)
where:
Base-Base interactions energy: -219.578
where: short stacking energy: -118.550
Base-Backbone interact. energy: 11.996
local terms energy: -281.594575
where:
bonds (distance) C4'-P energy: -80.307
bonds (distance) P-C4' energy: -95.170
flat angles C4'-P-C4' energy: -78.886
flat angles P-C4'-P energy: -52.698
tors. eta vs tors. theta energy: 25.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1819.798697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.798697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.798697 (E_RNA)
where:
Base-Base interactions energy: -1248.021
where: short stacking energy: -531.107
Base-Backbone interact. energy: -1.042
local terms energy: -570.735417
where:
bonds (distance) C4'-P energy: -104.963
bonds (distance) P-C4' energy: -108.578
flat angles C4'-P-C4' energy: -124.079
flat angles P-C4'-P energy: -76.475
tors. eta vs tors. theta energy: -156.640
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: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1778.862332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.862332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.862332 (E_RNA)
where:
Base-Base interactions energy: -1206.527
where: short stacking energy: -503.380
Base-Backbone interact. energy: -7.407
local terms energy: -564.927527
where:
bonds (distance) C4'-P energy: -97.885
bonds (distance) P-C4' energy: -108.118
flat angles C4'-P-C4' energy: -118.174
flat angles P-C4'-P energy: -83.276
tors. eta vs tors. theta energy: -157.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1742.051436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.051436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.051436 (E_RNA)
where:
Base-Base interactions energy: -1208.380
where: short stacking energy: -513.944
Base-Backbone interact. energy: -0.020
local terms energy: -533.652144
where:
bonds (distance) C4'-P energy: -95.529
bonds (distance) P-C4' energy: -92.241
flat angles C4'-P-C4' energy: -123.159
flat angles P-C4'-P energy: -77.200
tors. eta vs tors. theta energy: -145.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1572.766184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.766184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.766184 (E_RNA)
where:
Base-Base interactions energy: -1051.208
where: short stacking energy: -459.429
Base-Backbone interact. energy: -1.728
local terms energy: -519.830408
where:
bonds (distance) C4'-P energy: -99.302
bonds (distance) P-C4' energy: -103.144
flat angles C4'-P-C4' energy: -115.751
flat angles P-C4'-P energy: -73.563
tors. eta vs tors. theta energy: -128.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1504.902285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.902285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.902285 (E_RNA)
where:
Base-Base interactions energy: -1034.486
where: short stacking energy: -441.168
Base-Backbone interact. energy: 0.608
local terms energy: -471.024766
where:
bonds (distance) C4'-P energy: -94.320
bonds (distance) P-C4' energy: -94.321
flat angles C4'-P-C4' energy: -101.207
flat angles P-C4'-P energy: -67.964
tors. eta vs tors. theta energy: -113.214
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: 9
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1346.454221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.454221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.454221 (E_RNA)
where:
Base-Base interactions energy: -895.320
where: short stacking energy: -386.206
Base-Backbone interact. energy: -2.919
local terms energy: -448.214376
where:
bonds (distance) C4'-P energy: -88.520
bonds (distance) P-C4' energy: -108.592
flat angles C4'-P-C4' energy: -105.059
flat angles P-C4'-P energy: -62.091
tors. eta vs tors. theta energy: -83.952
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: 240
Temperature: 1.200000
Total energy: -1293.908536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.908536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.908536 (E_RNA)
where:
Base-Base interactions energy: -868.557
where: short stacking energy: -383.708
Base-Backbone interact. energy: 0.392
local terms energy: -425.743371
where:
bonds (distance) C4'-P energy: -78.548
bonds (distance) P-C4' energy: -91.655
flat angles C4'-P-C4' energy: -97.029
flat angles P-C4'-P energy: -59.777
tors. eta vs tors. theta energy: -98.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1085.064075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.064075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.064075 (E_RNA)
where:
Base-Base interactions energy: -707.728
where: short stacking energy: -302.509
Base-Backbone interact. energy: -3.547
local terms energy: -373.788574
where:
bonds (distance) C4'-P energy: -81.426
bonds (distance) P-C4' energy: -94.755
flat angles C4'-P-C4' energy: -95.315
flat angles P-C4'-P energy: -54.123
tors. eta vs tors. theta energy: -48.169
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: 3
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -938.045253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.045253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.045253 (E_RNA)
where:
Base-Base interactions energy: -589.893
where: short stacking energy: -266.853
Base-Backbone interact. energy: 0.952
local terms energy: -349.104122
where:
bonds (distance) C4'-P energy: -96.556
bonds (distance) P-C4' energy: -76.764
flat angles C4'-P-C4' energy: -85.640
flat angles P-C4'-P energy: -45.507
tors. eta vs tors. theta energy: -44.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -430.335365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.335365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.335365 (E_RNA)
where:
Base-Base interactions energy: -169.849
where: short stacking energy: -147.684
Base-Backbone interact. energy: 6.179
local terms energy: -266.665114
where:
bonds (distance) C4'-P energy: -95.373
bonds (distance) P-C4' energy: -86.681
flat angles C4'-P-C4' energy: -76.307
flat angles P-C4'-P energy: -21.882
tors. eta vs tors. theta energy: 13.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1816.308053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.308053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.308053 (E_RNA)
where:
Base-Base interactions energy: -1242.879
where: short stacking energy: -509.180
Base-Backbone interact. energy: -1.692
local terms energy: -571.736985
where:
bonds (distance) C4'-P energy: -114.952
bonds (distance) P-C4' energy: -113.870
flat angles C4'-P-C4' energy: -107.083
flat angles P-C4'-P energy: -84.450
tors. eta vs tors. theta energy: -151.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1790.280134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.280134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.280134 (E_RNA)
where:
Base-Base interactions energy: -1217.909
where: short stacking energy: -514.574
Base-Backbone interact. energy: -1.685
local terms energy: -570.685979
where:
bonds (distance) C4'-P energy: -109.054
bonds (distance) P-C4' energy: -108.601
flat angles C4'-P-C4' energy: -113.729
flat angles P-C4'-P energy: -86.285
tors. eta vs tors. theta energy: -153.017
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: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1728.422562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.422562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.422562 (E_RNA)
where:
Base-Base interactions energy: -1175.534
where: short stacking energy: -498.060
Base-Backbone interact. energy: -2.194
local terms energy: -550.694081
where:
bonds (distance) C4'-P energy: -110.056
bonds (distance) P-C4' energy: -99.584
flat angles C4'-P-C4' energy: -123.879
flat angles P-C4'-P energy: -79.632
tors. eta vs tors. theta energy: -137.543
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: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1552.151734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.151734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.151734 (E_RNA)
where:
Base-Base interactions energy: -1044.752
where: short stacking energy: -458.381
Base-Backbone interact. energy: -2.876
local terms energy: -504.523240
where:
bonds (distance) C4'-P energy: -105.252
bonds (distance) P-C4' energy: -90.525
flat angles C4'-P-C4' energy: -112.647
flat angles P-C4'-P energy: -71.294
tors. eta vs tors. theta energy: -124.805
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: 6
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1520.845517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.845517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.845517 (E_RNA)
where:
Base-Base interactions energy: -1039.555
where: short stacking energy: -449.712
Base-Backbone interact. energy: -0.705
local terms energy: -480.585286
where:
bonds (distance) C4'-P energy: -100.412
bonds (distance) P-C4' energy: -95.324
flat angles C4'-P-C4' energy: -100.958
flat angles P-C4'-P energy: -64.036
tors. eta vs tors. theta energy: -119.856
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: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1391.669524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.669524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.669524 (E_RNA)
where:
Base-Base interactions energy: -957.775
where: short stacking energy: -394.410
Base-Backbone interact. energy: 5.566
local terms energy: -439.460547
where:
bonds (distance) C4'-P energy: -77.961
bonds (distance) P-C4' energy: -92.070
flat angles C4'-P-C4' energy: -92.904
flat angles P-C4'-P energy: -65.829
tors. eta vs tors. theta energy: -110.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1294.841943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.841943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.841943 (E_RNA)
where:
Base-Base interactions energy: -866.396
where: short stacking energy: -375.532
Base-Backbone interact. energy: 2.224
local terms energy: -430.669671
where:
bonds (distance) C4'-P energy: -73.307
bonds (distance) P-C4' energy: -89.507
flat angles C4'-P-C4' energy: -105.769
flat angles P-C4'-P energy: -53.306
tors. eta vs tors. theta energy: -108.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1107.641869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.641869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.641869 (E_RNA)
where:
Base-Base interactions energy: -730.055
where: short stacking energy: -320.462
Base-Backbone interact. energy: 0.288
local terms energy: -377.875556
where:
bonds (distance) C4'-P energy: -95.479
bonds (distance) P-C4' energy: -82.333
flat angles C4'-P-C4' energy: -85.372
flat angles P-C4'-P energy: -59.827
tors. eta vs tors. theta energy: -54.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -890.761090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.761090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.761090 (E_RNA)
where:
Base-Base interactions energy: -542.585
where: short stacking energy: -235.991
Base-Backbone interact. energy: 6.869
local terms energy: -355.045627
where:
bonds (distance) C4'-P energy: -93.382
bonds (distance) P-C4' energy: -92.032
flat angles C4'-P-C4' energy: -87.336
flat angles P-C4'-P energy: -47.948
tors. eta vs tors. theta energy: -34.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -476.395815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.395815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.395815 (E_RNA)
where:
Base-Base interactions energy: -182.325
where: short stacking energy: -135.498
Base-Backbone interact. energy: 2.949
local terms energy: -297.019832
where:
bonds (distance) C4'-P energy: -83.537
bonds (distance) P-C4' energy: -96.407
flat angles C4'-P-C4' energy: -75.758
flat angles P-C4'-P energy: -54.368
tors. eta vs tors. theta energy: 13.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1851.447093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.447093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.447093 (E_RNA)
where:
Base-Base interactions energy: -1253.272
where: short stacking energy: -521.104
Base-Backbone interact. energy: -4.054
local terms energy: -594.120422
where:
bonds (distance) C4'-P energy: -118.831
bonds (distance) P-C4' energy: -109.330
flat angles C4'-P-C4' energy: -129.034
flat angles P-C4'-P energy: -87.405
tors. eta vs tors. theta energy: -149.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1761.820015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.820015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.820015 (E_RNA)
where:
Base-Base interactions energy: -1214.877
where: short stacking energy: -542.053
Base-Backbone interact. energy: -3.664
local terms energy: -543.279403
where:
bonds (distance) C4'-P energy: -106.664
bonds (distance) P-C4' energy: -89.149
flat angles C4'-P-C4' energy: -123.657
flat angles P-C4'-P energy: -65.413
tors. eta vs tors. theta energy: -158.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1746.983295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.983295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.983295 (E_RNA)
where:
Base-Base interactions energy: -1202.307
where: short stacking energy: -505.807
Base-Backbone interact. energy: -0.039
local terms energy: -544.637927
where:
bonds (distance) C4'-P energy: -103.642
bonds (distance) P-C4' energy: -98.726
flat angles C4'-P-C4' energy: -117.521
flat angles P-C4'-P energy: -87.753
tors. eta vs tors. theta energy: -136.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1545.255679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.255679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.255679 (E_RNA)
where:
Base-Base interactions energy: -1023.076
where: short stacking energy: -464.063
Base-Backbone interact. energy: -0.853
local terms energy: -521.327114
where:
bonds (distance) C4'-P energy: -94.765
bonds (distance) P-C4' energy: -112.560
flat angles C4'-P-C4' energy: -110.272
flat angles P-C4'-P energy: -72.523
tors. eta vs tors. theta energy: -131.208
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: 6
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1480.555298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.555298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.555298 (E_RNA)
where:
Base-Base interactions energy: -972.940
where: short stacking energy: -436.526
Base-Backbone interact. energy: -0.350
local terms energy: -507.265658
where:
bonds (distance) C4'-P energy: -108.583
bonds (distance) P-C4' energy: -111.052
flat angles C4'-P-C4' energy: -109.352
flat angles P-C4'-P energy: -65.783
tors. eta vs tors. theta energy: -112.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1363.205647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.205647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.205647 (E_RNA)
where:
Base-Base interactions energy: -888.548
where: short stacking energy: -407.703
Base-Backbone interact. energy: -0.736
local terms energy: -473.921697
where:
bonds (distance) C4'-P energy: -96.800
bonds (distance) P-C4' energy: -91.380
flat angles C4'-P-C4' energy: -114.750
flat angles P-C4'-P energy: -63.720
tors. eta vs tors. theta energy: -107.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1280.913261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.913261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.913261 (E_RNA)
where:
Base-Base interactions energy: -870.908
where: short stacking energy: -370.590
Base-Backbone interact. energy: 0.782
local terms energy: -410.787607
where:
bonds (distance) C4'-P energy: -82.017
bonds (distance) P-C4' energy: -99.879
flat angles C4'-P-C4' energy: -95.374
flat angles P-C4'-P energy: -46.535
tors. eta vs tors. theta energy: -86.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1099.830987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.830987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.830987 (E_RNA)
where:
Base-Base interactions energy: -705.434
where: short stacking energy: -305.876
Base-Backbone interact. energy: 1.398
local terms energy: -395.795163
where:
bonds (distance) C4'-P energy: -83.156
bonds (distance) P-C4' energy: -97.782
flat angles C4'-P-C4' energy: -91.715
flat angles P-C4'-P energy: -56.969
tors. eta vs tors. theta energy: -66.173
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: 9, replica: 3
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -901.954054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.954054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.954054 (E_RNA)
where:
Base-Base interactions energy: -532.098
where: short stacking energy: -254.627
Base-Backbone interact. energy: 0.300
local terms energy: -370.156309
where:
bonds (distance) C4'-P energy: -102.853
bonds (distance) P-C4' energy: -101.338
flat angles C4'-P-C4' energy: -80.660
flat angles P-C4'-P energy: -45.523
tors. eta vs tors. theta energy: -39.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -507.281925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.281925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.281925 (E_RNA)
where:
Base-Base interactions energy: -212.777
where: short stacking energy: -148.279
Base-Backbone interact. energy: 0.775
local terms energy: -295.280271
where:
bonds (distance) C4'-P energy: -80.799
bonds (distance) P-C4' energy: -88.550
flat angles C4'-P-C4' energy: -78.637
flat angles P-C4'-P energy: -48.206
tors. eta vs tors. theta energy: 0.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1843.333738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.333738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.333738 (E_RNA)
where:
Base-Base interactions energy: -1277.207
where: short stacking energy: -531.054
Base-Backbone interact. energy: -0.573
local terms energy: -565.553819
where:
bonds (distance) C4'-P energy: -102.257
bonds (distance) P-C4' energy: -105.039
flat angles C4'-P-C4' energy: -116.975
flat angles P-C4'-P energy: -89.215
tors. eta vs tors. theta energy: -152.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1758.471377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.471377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.471377 (E_RNA)
where:
Base-Base interactions energy: -1163.936
where: short stacking energy: -498.267
Base-Backbone interact. energy: -8.545
local terms energy: -585.990269
where:
bonds (distance) C4'-P energy: -114.858
bonds (distance) P-C4' energy: -110.515
flat angles C4'-P-C4' energy: -125.266
flat angles P-C4'-P energy: -82.485
tors. eta vs tors. theta energy: -152.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1698.216295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.216295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.216295 (E_RNA)
where:
Base-Base interactions energy: -1170.487
where: short stacking energy: -496.953
Base-Backbone interact. energy: -0.001
local terms energy: -527.728653
where:
bonds (distance) C4'-P energy: -102.052
bonds (distance) P-C4' energy: -100.659
flat angles C4'-P-C4' energy: -119.303
flat angles P-C4'-P energy: -72.821
tors. eta vs tors. theta energy: -132.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1597.187447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.187447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.187447 (E_RNA)
where:
Base-Base interactions energy: -1051.006
where: short stacking energy: -463.863
Base-Backbone interact. energy: -2.868
local terms energy: -543.313814
where:
bonds (distance) C4'-P energy: -104.368
bonds (distance) P-C4' energy: -106.100
flat angles C4'-P-C4' energy: -115.806
flat angles P-C4'-P energy: -81.204
tors. eta vs tors. theta energy: -135.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1476.040307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.040307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.040307 (E_RNA)
where:
Base-Base interactions energy: -980.913
where: short stacking energy: -425.578
Base-Backbone interact. energy: -1.233
local terms energy: -493.893357
where:
bonds (distance) C4'-P energy: -109.010
bonds (distance) P-C4' energy: -92.002
flat angles C4'-P-C4' energy: -107.368
flat angles P-C4'-P energy: -74.203
tors. eta vs tors. theta energy: -111.309
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: 5
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1422.320878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.320878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.320878 (E_RNA)
where:
Base-Base interactions energy: -943.318
where: short stacking energy: -448.197
Base-Backbone interact. energy: -1.704
local terms energy: -477.298439
where:
bonds (distance) C4'-P energy: -94.645
bonds (distance) P-C4' energy: -84.082
flat angles C4'-P-C4' energy: -104.665
flat angles P-C4'-P energy: -70.389
tors. eta vs tors. theta energy: -123.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1294.470756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.470756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.470756 (E_RNA)
where:
Base-Base interactions energy: -843.991
where: short stacking energy: -356.744
Base-Backbone interact. energy: -5.023
local terms energy: -445.457165
where:
bonds (distance) C4'-P energy: -101.685
bonds (distance) P-C4' energy: -99.319
flat angles C4'-P-C4' energy: -99.753
flat angles P-C4'-P energy: -58.912
tors. eta vs tors. theta energy: -85.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1112.194209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.194209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.194209 (E_RNA)
where:
Base-Base interactions energy: -730.749
where: short stacking energy: -297.622
Base-Backbone interact. energy: 0.044
local terms energy: -381.489631
where:
bonds (distance) C4'-P energy: -82.747
bonds (distance) P-C4' energy: -91.757
flat angles C4'-P-C4' energy: -86.455
flat angles P-C4'-P energy: -57.324
tors. eta vs tors. theta energy: -63.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -830.497983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.497983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.497983 (E_RNA)
where:
Base-Base interactions energy: -526.756
where: short stacking energy: -219.693
Base-Backbone interact. energy: 2.792
local terms energy: -306.534073
where:
bonds (distance) C4'-P energy: -81.019
bonds (distance) P-C4' energy: -89.205
flat angles C4'-P-C4' energy: -64.926
flat angles P-C4'-P energy: -58.218
tors. eta vs tors. theta energy: -13.166
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: 243
Temperature: 1.350000
Total energy: -482.471673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.471673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.471673 (E_RNA)
where:
Base-Base interactions energy: -223.694
where: short stacking energy: -143.850
Base-Backbone interact. energy: -1.728
local terms energy: -257.049216
where:
bonds (distance) C4'-P energy: -80.896
bonds (distance) P-C4' energy: -77.551
flat angles C4'-P-C4' energy: -75.250
flat angles P-C4'-P energy: -26.796
tors. eta vs tors. theta energy: 3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1871.570244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.570244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.570244 (E_RNA)
where:
Base-Base interactions energy: -1275.599
where: short stacking energy: -535.241
Base-Backbone interact. energy: -2.668
local terms energy: -593.302839
where:
bonds (distance) C4'-P energy: -116.798
bonds (distance) P-C4' energy: -112.683
flat angles C4'-P-C4' energy: -120.148
flat angles P-C4'-P energy: -87.048
tors. eta vs tors. theta energy: -156.624
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: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1759.526015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.526015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.526015 (E_RNA)
where:
Base-Base interactions energy: -1214.677
where: short stacking energy: -517.562
Base-Backbone interact. energy: -5.583
local terms energy: -539.266048
where:
bonds (distance) C4'-P energy: -98.700
bonds (distance) P-C4' energy: -98.495
flat angles C4'-P-C4' energy: -114.816
flat angles P-C4'-P energy: -66.902
tors. eta vs tors. theta energy: -160.353
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: 3, replica: 7
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1692.421168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.421168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.421168 (E_RNA)
where:
Base-Base interactions energy: -1170.367
where: short stacking energy: -479.528
Base-Backbone interact. energy: 1.027
local terms energy: -523.081308
where:
bonds (distance) C4'-P energy: -92.475
bonds (distance) P-C4' energy: -124.827
flat angles C4'-P-C4' energy: -122.507
flat angles P-C4'-P energy: -57.674
tors. eta vs tors. theta energy: -125.599
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: 244
Temperature: 1.050000
Total energy: -1552.474877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.474877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.474877 (E_RNA)
where:
Base-Base interactions energy: -1050.088
where: short stacking energy: -470.323
Base-Backbone interact. energy: -2.860
local terms energy: -499.526898
where:
bonds (distance) C4'-P energy: -90.820
bonds (distance) P-C4' energy: -97.748
flat angles C4'-P-C4' energy: -98.254
flat angles P-C4'-P energy: -74.526
tors. eta vs tors. theta energy: -138.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1485.883630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.883630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.883630 (E_RNA)
where:
Base-Base interactions energy: -1009.994
where: short stacking energy: -446.032
Base-Backbone interact. energy: 0.029
local terms energy: -475.918011
where:
bonds (distance) C4'-P energy: -88.869
bonds (distance) P-C4' energy: -99.260
flat angles C4'-P-C4' energy: -103.782
flat angles P-C4'-P energy: -63.519
tors. eta vs tors. theta energy: -120.488
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: 5
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1371.453730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.453730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.453730 (E_RNA)
where:
Base-Base interactions energy: -902.646
where: short stacking energy: -410.740
Base-Backbone interact. energy: 0.521
local terms energy: -469.328896
where:
bonds (distance) C4'-P energy: -98.007
bonds (distance) P-C4' energy: -91.467
flat angles C4'-P-C4' energy: -113.736
flat angles P-C4'-P energy: -66.184
tors. eta vs tors. theta energy: -99.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1337.565642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.565642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.565642 (E_RNA)
where:
Base-Base interactions energy: -871.220
where: short stacking energy: -388.034
Base-Backbone interact. energy: -2.342
local terms energy: -464.003694
where:
bonds (distance) C4'-P energy: -90.402
bonds (distance) P-C4' energy: -97.811
flat angles C4'-P-C4' energy: -105.449
flat angles P-C4'-P energy: -70.703
tors. eta vs tors. theta energy: -99.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1092.439684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.439684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.439684 (E_RNA)
where:
Base-Base interactions energy: -702.836
where: short stacking energy: -329.708
Base-Backbone interact. energy: 1.083
local terms energy: -390.686636
where:
bonds (distance) C4'-P energy: -67.033
bonds (distance) P-C4' energy: -108.869
flat angles C4'-P-C4' energy: -93.152
flat angles P-C4'-P energy: -54.882
tors. eta vs tors. theta energy: -66.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -826.921738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.921738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.921738 (E_RNA)
where:
Base-Base interactions energy: -509.984
where: short stacking energy: -216.901
Base-Backbone interact. energy: 2.968
local terms energy: -319.906167
where:
bonds (distance) C4'-P energy: -95.199
bonds (distance) P-C4' energy: -95.296
flat angles C4'-P-C4' energy: -76.169
flat angles P-C4'-P energy: -41.208
tors. eta vs tors. theta energy: -12.034
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: 244
Temperature: 1.350000
Total energy: -485.405025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.405025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.405025 (E_RNA)
where:
Base-Base interactions energy: -226.766
where: short stacking energy: -137.422
Base-Backbone interact. energy: 2.092
local terms energy: -260.731022
where:
bonds (distance) C4'-P energy: -79.575
bonds (distance) P-C4' energy: -66.541
flat angles C4'-P-C4' energy: -82.092
flat angles P-C4'-P energy: -52.601
tors. eta vs tors. theta energy: 20.078
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: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1844.426649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.426649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.426649 (E_RNA)
where:
Base-Base interactions energy: -1249.497
where: short stacking energy: -527.470
Base-Backbone interact. energy: -5.207
local terms energy: -589.723110
where:
bonds (distance) C4'-P energy: -113.677
bonds (distance) P-C4' energy: -110.195
flat angles C4'-P-C4' energy: -123.249
flat angles P-C4'-P energy: -83.489
tors. eta vs tors. theta energy: -159.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1788.206905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.206905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.206905 (E_RNA)
where:
Base-Base interactions energy: -1229.324
where: short stacking energy: -521.540
Base-Backbone interact. energy: -2.902
local terms energy: -555.981470
where:
bonds (distance) C4'-P energy: -114.647
bonds (distance) P-C4' energy: -103.465
flat angles C4'-P-C4' energy: -112.553
flat angles P-C4'-P energy: -89.646
tors. eta vs tors. theta energy: -135.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1625.016887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.016887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.016887 (E_RNA)
where:
Base-Base interactions energy: -1117.739
where: short stacking energy: -470.292
Base-Backbone interact. energy: -2.752
local terms energy: -504.525841
where:
bonds (distance) C4'-P energy: -92.365
bonds (distance) P-C4' energy: -96.793
flat angles C4'-P-C4' energy: -107.039
flat angles P-C4'-P energy: -77.123
tors. eta vs tors. theta energy: -131.206
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: 4, replica: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1544.737472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.737472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.737472 (E_RNA)
where:
Base-Base interactions energy: -1038.598
where: short stacking energy: -453.785
Base-Backbone interact. energy: -3.624
local terms energy: -502.515444
where:
bonds (distance) C4'-P energy: -100.453
bonds (distance) P-C4' energy: -94.313
flat angles C4'-P-C4' energy: -104.974
flat angles P-C4'-P energy: -68.847
tors. eta vs tors. theta energy: -133.928
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: 6
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1526.487460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.487460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.487460 (E_RNA)
where:
Base-Base interactions energy: -1050.106
where: short stacking energy: -460.722
Base-Backbone interact. energy: -0.348
local terms energy: -476.033019
where:
bonds (distance) C4'-P energy: -98.898
bonds (distance) P-C4' energy: -92.264
flat angles C4'-P-C4' energy: -105.073
flat angles P-C4'-P energy: -57.401
tors. eta vs tors. theta energy: -122.397
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: 6, replica: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1399.159838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.159838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.159838 (E_RNA)
where:
Base-Base interactions energy: -940.355
where: short stacking energy: -419.494
Base-Backbone interact. energy: -2.572
local terms energy: -456.232775
where:
bonds (distance) C4'-P energy: -94.299
bonds (distance) P-C4' energy: -86.702
flat angles C4'-P-C4' energy: -106.220
flat angles P-C4'-P energy: -63.629
tors. eta vs tors. theta energy: -105.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1310.049328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.049328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.049328 (E_RNA)
where:
Base-Base interactions energy: -870.967
where: short stacking energy: -392.266
Base-Backbone interact. energy: -1.165
local terms energy: -437.917835
where:
bonds (distance) C4'-P energy: -90.751
bonds (distance) P-C4' energy: -98.195
flat angles C4'-P-C4' energy: -96.406
flat angles P-C4'-P energy: -60.482
tors. eta vs tors. theta energy: -92.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1069.622191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.622191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.622191 (E_RNA)
where:
Base-Base interactions energy: -669.588
where: short stacking energy: -299.586
Base-Backbone interact. energy: -1.241
local terms energy: -398.793635
where:
bonds (distance) C4'-P energy: -88.946
bonds (distance) P-C4' energy: -74.438
flat angles C4'-P-C4' energy: -105.244
flat angles P-C4'-P energy: -69.136
tors. eta vs tors. theta energy: -61.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -832.026712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.026712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.026712 (E_RNA)
where:
Base-Base interactions energy: -505.838
where: short stacking energy: -218.947
Base-Backbone interact. energy: 0.530
local terms energy: -326.718690
where:
bonds (distance) C4'-P energy: -67.751
bonds (distance) P-C4' energy: -90.895
flat angles C4'-P-C4' energy: -94.866
flat angles P-C4'-P energy: -62.718
tors. eta vs tors. theta energy: -10.490
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: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -450.560890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.560890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.560890 (E_RNA)
where:
Base-Base interactions energy: -176.831
where: short stacking energy: -125.281
Base-Backbone interact. energy: 5.148
local terms energy: -278.878351
where:
bonds (distance) C4'-P energy: -69.885
bonds (distance) P-C4' energy: -101.269
flat angles C4'-P-C4' energy: -69.714
flat angles P-C4'-P energy: -56.169
tors. eta vs tors. theta energy: 18.158
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: 1
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1844.668514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.668514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.668514 (E_RNA)
where:
Base-Base interactions energy: -1265.781
where: short stacking energy: -526.032
Base-Backbone interact. energy: -2.170
local terms energy: -576.717605
where:
bonds (distance) C4'-P energy: -107.242
bonds (distance) P-C4' energy: -108.067
flat angles C4'-P-C4' energy: -127.844
flat angles P-C4'-P energy: -76.565
tors. eta vs tors. theta energy: -156.999
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: 7
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1752.761108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.761108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.761108 (E_RNA)
where:
Base-Base interactions energy: -1193.974
where: short stacking energy: -504.189
Base-Backbone interact. energy: -2.968
local terms energy: -555.819649
where:
bonds (distance) C4'-P energy: -94.373
bonds (distance) P-C4' energy: -124.317
flat angles C4'-P-C4' energy: -126.604
flat angles P-C4'-P energy: -77.702
tors. eta vs tors. theta energy: -132.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1664.762378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.762378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.762378 (E_RNA)
where:
Base-Base interactions energy: -1141.132
where: short stacking energy: -483.831
Base-Backbone interact. energy: -2.658
local terms energy: -520.972223
where:
bonds (distance) C4'-P energy: -94.014
bonds (distance) P-C4' energy: -104.538
flat angles C4'-P-C4' energy: -109.182
flat angles P-C4'-P energy: -76.260
tors. eta vs tors. theta energy: -136.978
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: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1503.796502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.796502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.796502 (E_RNA)
where:
Base-Base interactions energy: -1000.352
where: short stacking energy: -444.864
Base-Backbone interact. energy: -0.357
local terms energy: -503.087713
where:
bonds (distance) C4'-P energy: -103.677
bonds (distance) P-C4' energy: -100.858
flat angles C4'-P-C4' energy: -110.067
flat angles P-C4'-P energy: -66.199
tors. eta vs tors. theta energy: -122.287
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: 6
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1481.408943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.408943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.408943 (E_RNA)
where:
Base-Base interactions energy: -995.005
where: short stacking energy: -435.205
Base-Backbone interact. energy: -1.892
local terms energy: -484.512072
where:
bonds (distance) C4'-P energy: -90.389
bonds (distance) P-C4' energy: -88.795
flat angles C4'-P-C4' energy: -103.368
flat angles P-C4'-P energy: -81.087
tors. eta vs tors. theta energy: -120.873
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: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1315.680802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.680802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.680802 (E_RNA)
where:
Base-Base interactions energy: -899.639
where: short stacking energy: -395.218
Base-Backbone interact. energy: -1.710
local terms energy: -414.332087
where:
bonds (distance) C4'-P energy: -79.060
bonds (distance) P-C4' energy: -95.185
flat angles C4'-P-C4' energy: -91.590
flat angles P-C4'-P energy: -62.039
tors. eta vs tors. theta energy: -86.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1333.141785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.141785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.141785 (E_RNA)
where:
Base-Base interactions energy: -876.481
where: short stacking energy: -388.025
Base-Backbone interact. energy: 2.550
local terms energy: -459.209972
where:
bonds (distance) C4'-P energy: -103.471
bonds (distance) P-C4' energy: -103.029
flat angles C4'-P-C4' energy: -90.563
flat angles P-C4'-P energy: -65.909
tors. eta vs tors. theta energy: -96.238
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: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1073.452981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.452981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.452981 (E_RNA)
where:
Base-Base interactions energy: -698.097
where: short stacking energy: -292.113
Base-Backbone interact. energy: 5.684
local terms energy: -381.039720
where:
bonds (distance) C4'-P energy: -87.390
bonds (distance) P-C4' energy: -91.553
flat angles C4'-P-C4' energy: -86.787
flat angles P-C4'-P energy: -48.750
tors. eta vs tors. theta energy: -66.560
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: 3
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -819.673505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.673505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.673505 (E_RNA)
where:
Base-Base interactions energy: -465.904
where: short stacking energy: -217.266
Base-Backbone interact. energy: -0.354
local terms energy: -353.415661
where:
bonds (distance) C4'-P energy: -92.443
bonds (distance) P-C4' energy: -93.791
flat angles C4'-P-C4' energy: -88.060
flat angles P-C4'-P energy: -42.675
tors. eta vs tors. theta energy: -36.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -413.507397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.507397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.507397 (E_RNA)
where:
Base-Base interactions energy: -152.016
where: short stacking energy: -86.640
Base-Backbone interact. energy: -2.304
local terms energy: -259.187624
where:
bonds (distance) C4'-P energy: -77.473
bonds (distance) P-C4' energy: -103.971
flat angles C4'-P-C4' energy: -71.376
flat angles P-C4'-P energy: -42.903
tors. eta vs tors. theta energy: 36.535
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: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1842.424795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.424795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.424795 (E_RNA)
where:
Base-Base interactions energy: -1291.571
where: short stacking energy: -561.861
Base-Backbone interact. energy: -2.743
local terms energy: -548.110309
where:
bonds (distance) C4'-P energy: -99.439
bonds (distance) P-C4' energy: -102.892
flat angles C4'-P-C4' energy: -118.214
flat angles P-C4'-P energy: -77.224
tors. eta vs tors. theta energy: -150.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1726.726403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.726403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.726403 (E_RNA)
where:
Base-Base interactions energy: -1174.354
where: short stacking energy: -507.197
Base-Backbone interact. energy: 2.337
local terms energy: -554.709862
where:
bonds (distance) C4'-P energy: -111.225
bonds (distance) P-C4' energy: -101.623
flat angles C4'-P-C4' energy: -107.529
flat angles P-C4'-P energy: -86.542
tors. eta vs tors. theta energy: -147.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1662.111483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.111483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.111483 (E_RNA)
where:
Base-Base interactions energy: -1113.707
where: short stacking energy: -488.008
Base-Backbone interact. energy: 1.675
local terms energy: -550.079203
where:
bonds (distance) C4'-P energy: -103.940
bonds (distance) P-C4' energy: -104.180
flat angles C4'-P-C4' energy: -118.542
flat angles P-C4'-P energy: -74.085
tors. eta vs tors. theta energy: -149.332
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: 6
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1585.952006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.952006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.952006 (E_RNA)
where:
Base-Base interactions energy: -1058.774
where: short stacking energy: -462.037
Base-Backbone interact. energy: -1.931
local terms energy: -525.247124
where:
bonds (distance) C4'-P energy: -97.528
bonds (distance) P-C4' energy: -113.268
flat angles C4'-P-C4' energy: -115.528
flat angles P-C4'-P energy: -78.151
tors. eta vs tors. theta energy: -120.772
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: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1493.011118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.011118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.011118 (E_RNA)
where:
Base-Base interactions energy: -997.485
where: short stacking energy: -443.345
Base-Backbone interact. energy: -2.023
local terms energy: -493.503289
where:
bonds (distance) C4'-P energy: -90.388
bonds (distance) P-C4' energy: -104.758
flat angles C4'-P-C4' energy: -106.061
flat angles P-C4'-P energy: -73.467
tors. eta vs tors. theta energy: -118.829
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: 6, replica: 5
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1331.352565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.352565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.352565 (E_RNA)
where:
Base-Base interactions energy: -889.775
where: short stacking energy: -367.458
Base-Backbone interact. energy: -0.353
local terms energy: -441.224257
where:
bonds (distance) C4'-P energy: -90.703
bonds (distance) P-C4' energy: -95.939
flat angles C4'-P-C4' energy: -100.850
flat angles P-C4'-P energy: -68.229
tors. eta vs tors. theta energy: -85.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1307.655486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.655486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.655486 (E_RNA)
where:
Base-Base interactions energy: -875.394
where: short stacking energy: -376.335
Base-Backbone interact. energy: 4.605
local terms energy: -436.866153
where:
bonds (distance) C4'-P energy: -86.002
bonds (distance) P-C4' energy: -93.148
flat angles C4'-P-C4' energy: -96.214
flat angles P-C4'-P energy: -69.718
tors. eta vs tors. theta energy: -91.784
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: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1048.306664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.306664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.306664 (E_RNA)
where:
Base-Base interactions energy: -676.992
where: short stacking energy: -326.627
Base-Backbone interact. energy: 1.131
local terms energy: -372.445423
where:
bonds (distance) C4'-P energy: -89.068
bonds (distance) P-C4' energy: -83.301
flat angles C4'-P-C4' energy: -77.280
flat angles P-C4'-P energy: -56.375
tors. eta vs tors. theta energy: -66.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -850.677601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.677601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.677601 (E_RNA)
where:
Base-Base interactions energy: -505.398
where: short stacking energy: -229.645
Base-Backbone interact. energy: -1.192
local terms energy: -344.086998
where:
bonds (distance) C4'-P energy: -74.687
bonds (distance) P-C4' energy: -104.118
flat angles C4'-P-C4' energy: -90.274
flat angles P-C4'-P energy: -48.003
tors. eta vs tors. theta energy: -27.005
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: 247
Temperature: 1.350000
Total energy: -428.513642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.513642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.513642 (E_RNA)
where:
Base-Base interactions energy: -157.237
where: short stacking energy: -117.885
Base-Backbone interact. energy: 8.153
local terms energy: -279.429166
where:
bonds (distance) C4'-P energy: -79.134
bonds (distance) P-C4' energy: -94.542
flat angles C4'-P-C4' energy: -73.032
flat angles P-C4'-P energy: -44.767
tors. eta vs tors. theta energy: 12.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1844.611048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.611048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.611048 (E_RNA)
where:
Base-Base interactions energy: -1246.358
where: short stacking energy: -528.957
Base-Backbone interact. energy: -1.674
local terms energy: -596.579787
where:
bonds (distance) C4'-P energy: -111.230
bonds (distance) P-C4' energy: -112.573
flat angles C4'-P-C4' energy: -123.598
flat angles P-C4'-P energy: -89.302
tors. eta vs tors. theta energy: -159.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1741.415130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.415130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.415130 (E_RNA)
where:
Base-Base interactions energy: -1171.460
where: short stacking energy: -511.192
Base-Backbone interact. energy: -1.392
local terms energy: -568.563017
where:
bonds (distance) C4'-P energy: -105.387
bonds (distance) P-C4' energy: -106.937
flat angles C4'-P-C4' energy: -116.354
flat angles P-C4'-P energy: -91.380
tors. eta vs tors. theta energy: -148.504
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: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1668.483016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.483016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.483016 (E_RNA)
where:
Base-Base interactions energy: -1121.854
where: short stacking energy: -492.470
Base-Backbone interact. energy: -3.271
local terms energy: -543.358350
where:
bonds (distance) C4'-P energy: -107.841
bonds (distance) P-C4' energy: -84.768
flat angles C4'-P-C4' energy: -121.785
flat angles P-C4'-P energy: -79.508
tors. eta vs tors. theta energy: -149.455
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: 6
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1566.310178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.310178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.310178 (E_RNA)
where:
Base-Base interactions energy: -1052.160
where: short stacking energy: -439.985
Base-Backbone interact. energy: -4.417
local terms energy: -509.733017
where:
bonds (distance) C4'-P energy: -93.751
bonds (distance) P-C4' energy: -100.577
flat angles C4'-P-C4' energy: -118.152
flat angles P-C4'-P energy: -78.623
tors. eta vs tors. theta energy: -118.630
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: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1512.925516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.925516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.925516 (E_RNA)
where:
Base-Base interactions energy: -1016.594
where: short stacking energy: -448.413
Base-Backbone interact. energy: -3.581
local terms energy: -492.751218
where:
bonds (distance) C4'-P energy: -91.378
bonds (distance) P-C4' energy: -99.963
flat angles C4'-P-C4' energy: -116.525
flat angles P-C4'-P energy: -65.742
tors. eta vs tors. theta energy: -119.143
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: 248
Temperature: 1.150000
Total energy: -1368.123727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.123727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.123727 (E_RNA)
where:
Base-Base interactions energy: -917.210
where: short stacking energy: -376.739
Base-Backbone interact. energy: -1.495
local terms energy: -449.418614
where:
bonds (distance) C4'-P energy: -81.420
bonds (distance) P-C4' energy: -103.289
flat angles C4'-P-C4' energy: -98.248
flat angles P-C4'-P energy: -73.625
tors. eta vs tors. theta energy: -92.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1322.807202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.807202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.807202 (E_RNA)
where:
Base-Base interactions energy: -875.308
where: short stacking energy: -384.514
Base-Backbone interact. energy: -0.355
local terms energy: -447.144751
where:
bonds (distance) C4'-P energy: -98.984
bonds (distance) P-C4' energy: -100.169
flat angles C4'-P-C4' energy: -96.816
flat angles P-C4'-P energy: -64.374
tors. eta vs tors. theta energy: -86.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1055.466182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.466182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.466182 (E_RNA)
where:
Base-Base interactions energy: -674.844
where: short stacking energy: -321.034
Base-Backbone interact. energy: -0.852
local terms energy: -379.770646
where:
bonds (distance) C4'-P energy: -91.608
bonds (distance) P-C4' energy: -85.935
flat angles C4'-P-C4' energy: -88.115
flat angles P-C4'-P energy: -49.377
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: 9, replica: 3
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -856.938545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.938545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.938545 (E_RNA)
where:
Base-Base interactions energy: -517.694
where: short stacking energy: -225.403
Base-Backbone interact. energy: 6.214
local terms energy: -345.458681
where:
bonds (distance) C4'-P energy: -93.022
bonds (distance) P-C4' energy: -89.794
flat angles C4'-P-C4' energy: -82.753
flat angles P-C4'-P energy: -55.818
tors. eta vs tors. theta energy: -24.072
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: 248
Temperature: 1.350000
Total energy: -440.184422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.184422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.184422 (E_RNA)
where:
Base-Base interactions energy: -178.978
where: short stacking energy: -154.303
Base-Backbone interact. energy: -0.148
local terms energy: -261.058919
where:
bonds (distance) C4'-P energy: -83.672
bonds (distance) P-C4' energy: -81.860
flat angles C4'-P-C4' energy: -76.354
flat angles P-C4'-P energy: -38.924
tors. eta vs tors. theta energy: 19.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1844.722711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.722711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.722711 (E_RNA)
where:
Base-Base interactions energy: -1290.030
where: short stacking energy: -529.862
Base-Backbone interact. energy: -2.441
local terms energy: -552.251833
where:
bonds (distance) C4'-P energy: -108.324
bonds (distance) P-C4' energy: -99.826
flat angles C4'-P-C4' energy: -121.094
flat angles P-C4'-P energy: -75.554
tors. eta vs tors. theta energy: -147.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1761.271384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.271384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.271384 (E_RNA)
where:
Base-Base interactions energy: -1187.848
where: short stacking energy: -497.640
Base-Backbone interact. energy: -4.333
local terms energy: -569.090685
where:
bonds (distance) C4'-P energy: -108.499
bonds (distance) P-C4' energy: -109.184
flat angles C4'-P-C4' energy: -119.643
flat angles P-C4'-P energy: -93.472
tors. eta vs tors. theta energy: -138.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1626.793196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.793196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.793196 (E_RNA)
where:
Base-Base interactions energy: -1092.697
where: short stacking energy: -465.714
Base-Backbone interact. energy: -4.157
local terms energy: -529.939415
where:
bonds (distance) C4'-P energy: -99.961
bonds (distance) P-C4' energy: -101.131
flat angles C4'-P-C4' energy: -118.833
flat angles P-C4'-P energy: -84.200
tors. eta vs tors. theta energy: -125.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1579.482701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.482701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.482701 (E_RNA)
where:
Base-Base interactions energy: -1081.653
where: short stacking energy: -458.163
Base-Backbone interact. energy: -5.211
local terms energy: -492.619194
where:
bonds (distance) C4'-P energy: -92.851
bonds (distance) P-C4' energy: -89.147
flat angles C4'-P-C4' energy: -99.859
flat angles P-C4'-P energy: -81.801
tors. eta vs tors. theta energy: -128.961
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: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1509.732784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.732784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.732784 (E_RNA)
where:
Base-Base interactions energy: -1020.598
where: short stacking energy: -456.609
Base-Backbone interact. energy: 0.756
local terms energy: -489.891092
where:
bonds (distance) C4'-P energy: -91.236
bonds (distance) P-C4' energy: -96.882
flat angles C4'-P-C4' energy: -102.372
flat angles P-C4'-P energy: -78.128
tors. eta vs tors. theta energy: -121.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1367.629231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.629231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.629231 (E_RNA)
where:
Base-Base interactions energy: -899.807
where: short stacking energy: -380.132
Base-Backbone interact. energy: 6.434
local terms energy: -474.256911
where:
bonds (distance) C4'-P energy: -97.661
bonds (distance) P-C4' energy: -91.641
flat angles C4'-P-C4' energy: -103.779
flat angles P-C4'-P energy: -79.089
tors. eta vs tors. theta energy: -102.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1337.304383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.304383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.304383 (E_RNA)
where:
Base-Base interactions energy: -884.390
where: short stacking energy: -367.025
Base-Backbone interact. energy: -3.125
local terms energy: -449.788768
where:
bonds (distance) C4'-P energy: -75.970
bonds (distance) P-C4' energy: -93.908
flat angles C4'-P-C4' energy: -105.293
flat angles P-C4'-P energy: -76.828
tors. eta vs tors. theta energy: -97.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1080.311852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.311852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.311852 (E_RNA)
where:
Base-Base interactions energy: -676.625
where: short stacking energy: -307.992
Base-Backbone interact. energy: 1.660
local terms energy: -405.347064
where:
bonds (distance) C4'-P energy: -95.275
bonds (distance) P-C4' energy: -91.031
flat angles C4'-P-C4' energy: -87.977
flat angles P-C4'-P energy: -62.835
tors. eta vs tors. theta energy: -68.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -876.352051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.352051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.352051 (E_RNA)
where:
Base-Base interactions energy: -516.306
where: short stacking energy: -241.368
Base-Backbone interact. energy: 4.800
local terms energy: -364.845975
where:
bonds (distance) C4'-P energy: -78.468
bonds (distance) P-C4' energy: -96.894
flat angles C4'-P-C4' energy: -91.371
flat angles P-C4'-P energy: -56.581
tors. eta vs tors. theta energy: -41.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -416.551577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.551577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.551577 (E_RNA)
where:
Base-Base interactions energy: -154.998
where: short stacking energy: -138.755
Base-Backbone interact. energy: -2.249
local terms energy: -259.304870
where:
bonds (distance) C4'-P energy: -77.510
bonds (distance) P-C4' energy: -92.109
flat angles C4'-P-C4' energy: -69.852
flat angles P-C4'-P energy: -30.510
tors. eta vs tors. theta energy: 10.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1843.835837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.835837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.835837 (E_RNA)
where:
Base-Base interactions energy: -1257.734
where: short stacking energy: -527.233
Base-Backbone interact. energy: -2.059
local terms energy: -584.042603
where:
bonds (distance) C4'-P energy: -106.606
bonds (distance) P-C4' energy: -113.855
flat angles C4'-P-C4' energy: -113.372
flat angles P-C4'-P energy: -92.147
tors. eta vs tors. theta energy: -158.063
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: 7
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1742.373281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.373281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.373281 (E_RNA)
where:
Base-Base interactions energy: -1166.931
where: short stacking energy: -525.049
Base-Backbone interact. energy: 0.853
local terms energy: -576.294796
where:
bonds (distance) C4'-P energy: -100.938
bonds (distance) P-C4' energy: -119.735
flat angles C4'-P-C4' energy: -122.940
flat angles P-C4'-P energy: -76.809
tors. eta vs tors. theta energy: -155.872
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: 250
Temperature: 1.000000
Total energy: -1632.429919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.429919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.429919 (E_RNA)
where:
Base-Base interactions energy: -1105.765
where: short stacking energy: -478.771
Base-Backbone interact. energy: -2.982
local terms energy: -523.683124
where:
bonds (distance) C4'-P energy: -95.660
bonds (distance) P-C4' energy: -103.319
flat angles C4'-P-C4' energy: -115.937
flat angles P-C4'-P energy: -74.123
tors. eta vs tors. theta energy: -134.645
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: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1597.445679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.445679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.445679 (E_RNA)
where:
Base-Base interactions energy: -1068.002
where: short stacking energy: -464.260
Base-Backbone interact. energy: 1.127
local terms energy: -530.570420
where:
bonds (distance) C4'-P energy: -100.417
bonds (distance) P-C4' energy: -110.634
flat angles C4'-P-C4' energy: -122.152
flat angles P-C4'-P energy: -76.350
tors. eta vs tors. theta energy: -121.018
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: 2
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1457.083758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.083758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.083758 (E_RNA)
where:
Base-Base interactions energy: -971.361
where: short stacking energy: -414.001
Base-Backbone interact. energy: -1.001
local terms energy: -484.722444
where:
bonds (distance) C4'-P energy: -99.559
bonds (distance) P-C4' energy: -92.734
flat angles C4'-P-C4' energy: -97.821
flat angles P-C4'-P energy: -70.337
tors. eta vs tors. theta energy: -124.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1380.342991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.342991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.342991 (E_RNA)
where:
Base-Base interactions energy: -927.789
where: short stacking energy: -387.662
Base-Backbone interact. energy: -0.272
local terms energy: -452.281313
where:
bonds (distance) C4'-P energy: -84.091
bonds (distance) P-C4' energy: -105.019
flat angles C4'-P-C4' energy: -100.852
flat angles P-C4'-P energy: -60.320
tors. eta vs tors. theta energy: -101.998
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: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1337.547179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.547179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.547179 (E_RNA)
where:
Base-Base interactions energy: -892.082
where: short stacking energy: -383.659
Base-Backbone interact. energy: -1.613
local terms energy: -443.852473
where:
bonds (distance) C4'-P energy: -98.274
bonds (distance) P-C4' energy: -92.557
flat angles C4'-P-C4' energy: -97.548
flat angles P-C4'-P energy: -57.390
tors. eta vs tors. theta energy: -98.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1089.832278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.832278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.832278 (E_RNA)
where:
Base-Base interactions energy: -669.064
where: short stacking energy: -308.107
Base-Backbone interact. energy: -1.152
local terms energy: -419.617031
where:
bonds (distance) C4'-P energy: -95.675
bonds (distance) P-C4' energy: -99.688
flat angles C4'-P-C4' energy: -95.795
flat angles P-C4'-P energy: -57.017
tors. eta vs tors. theta energy: -71.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -898.252870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.252870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.252870 (E_RNA)
where:
Base-Base interactions energy: -566.829
where: short stacking energy: -248.119
Base-Backbone interact. energy: -2.216
local terms energy: -329.207707
where:
bonds (distance) C4'-P energy: -91.682
bonds (distance) P-C4' energy: -81.093
flat angles C4'-P-C4' energy: -79.527
flat angles P-C4'-P energy: -56.063
tors. eta vs tors. theta energy: -20.843
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: 250
Temperature: 1.350000
Total energy: -412.868498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.868498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.868498 (E_RNA)
where:
Base-Base interactions energy: -135.426
where: short stacking energy: -126.041
Base-Backbone interact. energy: 4.874
local terms energy: -282.316384
where:
bonds (distance) C4'-P energy: -91.081
bonds (distance) P-C4' energy: -92.846
flat angles C4'-P-C4' energy: -74.566
flat angles P-C4'-P energy: -51.563
tors. eta vs tors. theta energy: 27.739
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: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1823.277078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.277078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.277078 (E_RNA)
where:
Base-Base interactions energy: -1239.234
where: short stacking energy: -512.726
Base-Backbone interact. energy: -0.725
local terms energy: -583.318584
where:
bonds (distance) C4'-P energy: -116.974
bonds (distance) P-C4' energy: -117.016
flat angles C4'-P-C4' energy: -122.937
flat angles P-C4'-P energy: -79.622
tors. eta vs tors. theta energy: -146.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1765.249172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.249172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.249172 (E_RNA)
where:
Base-Base interactions energy: -1229.497
where: short stacking energy: -525.182
Base-Backbone interact. energy: -1.588
local terms energy: -534.163482
where:
bonds (distance) C4'-P energy: -103.179
bonds (distance) P-C4' energy: -90.379
flat angles C4'-P-C4' energy: -123.399
flat angles P-C4'-P energy: -67.144
tors. eta vs tors. theta energy: -150.063
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: 4
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1603.700887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.700887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.700887 (E_RNA)
where:
Base-Base interactions energy: -1096.527
where: short stacking energy: -485.199
Base-Backbone interact. energy: -2.862
local terms energy: -504.312392
where:
bonds (distance) C4'-P energy: -95.415
bonds (distance) P-C4' energy: -92.117
flat angles C4'-P-C4' energy: -112.592
flat angles P-C4'-P energy: -70.562
tors. eta vs tors. theta energy: -133.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1532.329277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.329277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.329277 (E_RNA)
where:
Base-Base interactions energy: -1009.964
where: short stacking energy: -445.153
Base-Backbone interact. energy: 1.627
local terms energy: -523.992171
where:
bonds (distance) C4'-P energy: -110.910
bonds (distance) P-C4' energy: -103.461
flat angles C4'-P-C4' energy: -111.489
flat angles P-C4'-P energy: -81.191
tors. eta vs tors. theta energy: -116.941
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: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1495.771909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.771909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.771909 (E_RNA)
where:
Base-Base interactions energy: -1022.316
where: short stacking energy: -443.529
Base-Backbone interact. energy: 0.950
local terms energy: -474.405632
where:
bonds (distance) C4'-P energy: -96.559
bonds (distance) P-C4' energy: -89.871
flat angles C4'-P-C4' energy: -108.051
flat angles P-C4'-P energy: -68.222
tors. eta vs tors. theta energy: -111.703
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: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1407.107628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.107628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.107628 (E_RNA)
where:
Base-Base interactions energy: -931.417
where: short stacking energy: -407.642
Base-Backbone interact. energy: -0.249
local terms energy: -475.442308
where:
bonds (distance) C4'-P energy: -90.408
bonds (distance) P-C4' energy: -100.911
flat angles C4'-P-C4' energy: -113.348
flat angles P-C4'-P energy: -72.059
tors. eta vs tors. theta energy: -98.717
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: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1288.255145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.255145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.255145 (E_RNA)
where:
Base-Base interactions energy: -870.150
where: short stacking energy: -381.932
Base-Backbone interact. energy: 0.167
local terms energy: -418.272188
where:
bonds (distance) C4'-P energy: -87.464
bonds (distance) P-C4' energy: -89.430
flat angles C4'-P-C4' energy: -107.601
flat angles P-C4'-P energy: -61.078
tors. eta vs tors. theta energy: -72.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1077.838760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.838760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.838760 (E_RNA)
where:
Base-Base interactions energy: -672.905
where: short stacking energy: -302.658
Base-Backbone interact. energy: 6.386
local terms energy: -411.319634
where:
bonds (distance) C4'-P energy: -100.423
bonds (distance) P-C4' energy: -100.565
flat angles C4'-P-C4' energy: -96.708
flat angles P-C4'-P energy: -54.921
tors. eta vs tors. theta energy: -58.703
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: 3
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -933.612284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.612284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.612284 (E_RNA)
where:
Base-Base interactions energy: -578.023
where: short stacking energy: -279.169
Base-Backbone interact. energy: 1.325
local terms energy: -356.914208
where:
bonds (distance) C4'-P energy: -91.418
bonds (distance) P-C4' energy: -88.069
flat angles C4'-P-C4' energy: -79.890
flat angles P-C4'-P energy: -62.924
tors. eta vs tors. theta energy: -34.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -417.738070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.738070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.738070 (E_RNA)
where:
Base-Base interactions energy: -151.853
where: short stacking energy: -114.436
Base-Backbone interact. energy: -0.513
local terms energy: -265.372174
where:
bonds (distance) C4'-P energy: -67.427
bonds (distance) P-C4' energy: -105.730
flat angles C4'-P-C4' energy: -72.232
flat angles P-C4'-P energy: -39.533
tors. eta vs tors. theta energy: 19.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1811.250335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.250335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.250335 (E_RNA)
where:
Base-Base interactions energy: -1262.524
where: short stacking energy: -513.559
Base-Backbone interact. energy: -3.823
local terms energy: -544.903836
where:
bonds (distance) C4'-P energy: -104.751
bonds (distance) P-C4' energy: -102.696
flat angles C4'-P-C4' energy: -124.407
flat angles P-C4'-P energy: -69.024
tors. eta vs tors. theta energy: -144.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1760.506243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.506243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.506243 (E_RNA)
where:
Base-Base interactions energy: -1204.301
where: short stacking energy: -507.098
Base-Backbone interact. energy: -4.645
local terms energy: -551.560235
where:
bonds (distance) C4'-P energy: -112.578
bonds (distance) P-C4' energy: -110.721
flat angles C4'-P-C4' energy: -117.988
flat angles P-C4'-P energy: -74.304
tors. eta vs tors. theta energy: -135.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1679.054582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.054582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.054582 (E_RNA)
where:
Base-Base interactions energy: -1123.711
where: short stacking energy: -483.337
Base-Backbone interact. energy: 0.021
local terms energy: -555.364768
where:
bonds (distance) C4'-P energy: -103.966
bonds (distance) P-C4' energy: -106.469
flat angles C4'-P-C4' energy: -128.523
flat angles P-C4'-P energy: -68.143
tors. eta vs tors. theta energy: -148.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1577.319223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.319223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.319223 (E_RNA)
where:
Base-Base interactions energy: -1056.649
where: short stacking energy: -472.807
Base-Backbone interact. energy: -2.676
local terms energy: -517.994267
where:
bonds (distance) C4'-P energy: -101.479
bonds (distance) P-C4' energy: -113.104
flat angles C4'-P-C4' energy: -110.165
flat angles P-C4'-P energy: -69.479
tors. eta vs tors. theta energy: -123.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1459.087110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.087110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.087110 (E_RNA)
where:
Base-Base interactions energy: -954.853
where: short stacking energy: -403.728
Base-Backbone interact. energy: -2.588
local terms energy: -501.645485
where:
bonds (distance) C4'-P energy: -103.860
bonds (distance) P-C4' energy: -111.098
flat angles C4'-P-C4' energy: -104.146
flat angles P-C4'-P energy: -68.642
tors. eta vs tors. theta energy: -113.900
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: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1381.227278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.227278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.227278 (E_RNA)
where:
Base-Base interactions energy: -926.995
where: short stacking energy: -400.192
Base-Backbone interact. energy: -2.553
local terms energy: -451.678905
where:
bonds (distance) C4'-P energy: -96.602
bonds (distance) P-C4' energy: -76.043
flat angles C4'-P-C4' energy: -105.519
flat angles P-C4'-P energy: -71.926
tors. eta vs tors. theta energy: -101.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1301.817523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.817523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.817523 (E_RNA)
where:
Base-Base interactions energy: -868.245
where: short stacking energy: -364.989
Base-Backbone interact. energy: -2.043
local terms energy: -431.529621
where:
bonds (distance) C4'-P energy: -77.686
bonds (distance) P-C4' energy: -95.661
flat angles C4'-P-C4' energy: -106.980
flat angles P-C4'-P energy: -63.021
tors. eta vs tors. theta energy: -88.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1122.908950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.908950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.908950 (E_RNA)
where:
Base-Base interactions energy: -751.862
where: short stacking energy: -301.541
Base-Backbone interact. energy: -2.566
local terms energy: -368.480300
where:
bonds (distance) C4'-P energy: -90.124
bonds (distance) P-C4' energy: -89.434
flat angles C4'-P-C4' energy: -94.216
flat angles P-C4'-P energy: -29.806
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: 9, replica: 3
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -972.954339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.954339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.954339 (E_RNA)
where:
Base-Base interactions energy: -598.991
where: short stacking energy: -281.562
Base-Backbone interact. energy: -0.791
local terms energy: -373.171487
where:
bonds (distance) C4'-P energy: -77.261
bonds (distance) P-C4' energy: -103.006
flat angles C4'-P-C4' energy: -82.450
flat angles P-C4'-P energy: -55.734
tors. eta vs tors. theta energy: -54.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -414.535636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.535636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.535636 (E_RNA)
where:
Base-Base interactions energy: -133.217
where: short stacking energy: -117.809
Base-Backbone interact. energy: -0.619
local terms energy: -280.699813
where:
bonds (distance) C4'-P energy: -85.435
bonds (distance) P-C4' energy: -84.464
flat angles C4'-P-C4' energy: -80.588
flat angles P-C4'-P energy: -45.081
tors. eta vs tors. theta energy: 14.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1822.660676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.660676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.660676 (E_RNA)
where:
Base-Base interactions energy: -1256.079
where: short stacking energy: -521.385
Base-Backbone interact. energy: -2.039
local terms energy: -564.543410
where:
bonds (distance) C4'-P energy: -98.541
bonds (distance) P-C4' energy: -122.221
flat angles C4'-P-C4' energy: -113.399
flat angles P-C4'-P energy: -79.959
tors. eta vs tors. theta energy: -150.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1754.957334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.957334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.957334 (E_RNA)
where:
Base-Base interactions energy: -1211.585
where: short stacking energy: -531.546
Base-Backbone interact. energy: 3.162
local terms energy: -546.534025
where:
bonds (distance) C4'-P energy: -104.217
bonds (distance) P-C4' energy: -96.507
flat angles C4'-P-C4' energy: -119.237
flat angles P-C4'-P energy: -78.182
tors. eta vs tors. theta energy: -148.390
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: 4
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1611.420139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.420139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.420139 (E_RNA)
where:
Base-Base interactions energy: -1069.820
where: short stacking energy: -480.546
Base-Backbone interact. energy: -1.938
local terms energy: -539.661958
where:
bonds (distance) C4'-P energy: -113.678
bonds (distance) P-C4' energy: -109.238
flat angles C4'-P-C4' energy: -108.301
flat angles P-C4'-P energy: -74.176
tors. eta vs tors. theta energy: -134.269
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: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1540.472707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.472707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.472707 (E_RNA)
where:
Base-Base interactions energy: -1033.730
where: short stacking energy: -475.027
Base-Backbone interact. energy: -0.904
local terms energy: -505.838766
where:
bonds (distance) C4'-P energy: -94.072
bonds (distance) P-C4' energy: -100.833
flat angles C4'-P-C4' energy: -111.210
flat angles P-C4'-P energy: -70.377
tors. eta vs tors. theta energy: -129.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1461.347376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.347376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.347376 (E_RNA)
where:
Base-Base interactions energy: -977.383
where: short stacking energy: -411.192
Base-Backbone interact. energy: -4.189
local terms energy: -479.774927
where:
bonds (distance) C4'-P energy: -101.125
bonds (distance) P-C4' energy: -100.466
flat angles C4'-P-C4' energy: -103.863
flat angles P-C4'-P energy: -71.409
tors. eta vs tors. theta energy: -102.912
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: 9
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1420.318907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.318907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.318907 (E_RNA)
where:
Base-Base interactions energy: -929.175
where: short stacking energy: -416.169
Base-Backbone interact. energy: -2.187
local terms energy: -488.956736
where:
bonds (distance) C4'-P energy: -105.699
bonds (distance) P-C4' energy: -112.958
flat angles C4'-P-C4' energy: -99.859
flat angles P-C4'-P energy: -60.417
tors. eta vs tors. theta energy: -110.024
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: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1239.445297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.445297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.445297 (E_RNA)
where:
Base-Base interactions energy: -778.020
where: short stacking energy: -342.085
Base-Backbone interact. energy: -3.129
local terms energy: -458.296554
where:
bonds (distance) C4'-P energy: -96.317
bonds (distance) P-C4' energy: -106.293
flat angles C4'-P-C4' energy: -99.897
flat angles P-C4'-P energy: -69.902
tors. eta vs tors. theta energy: -85.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1128.862783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.862783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.862783 (E_RNA)
where:
Base-Base interactions energy: -729.817
where: short stacking energy: -324.146
Base-Backbone interact. energy: 0.554
local terms energy: -399.599506
where:
bonds (distance) C4'-P energy: -87.988
bonds (distance) P-C4' energy: -96.084
flat angles C4'-P-C4' energy: -93.550
flat angles P-C4'-P energy: -50.262
tors. eta vs tors. theta energy: -71.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -886.032446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.032446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.032446 (E_RNA)
where:
Base-Base interactions energy: -532.740
where: short stacking energy: -239.201
Base-Backbone interact. energy: -1.064
local terms energy: -352.228390
where:
bonds (distance) C4'-P energy: -109.478
bonds (distance) P-C4' energy: -89.298
flat angles C4'-P-C4' energy: -56.495
flat angles P-C4'-P energy: -62.843
tors. eta vs tors. theta energy: -34.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -412.695056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.695056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.695056 (E_RNA)
where:
Base-Base interactions energy: -145.457
where: short stacking energy: -128.637
Base-Backbone interact. energy: 12.447
local terms energy: -279.684744
where:
bonds (distance) C4'-P energy: -89.998
bonds (distance) P-C4' energy: -84.253
flat angles C4'-P-C4' energy: -77.017
flat angles P-C4'-P energy: -44.554
tors. eta vs tors. theta energy: 16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1817.135800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.135800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.135800 (E_RNA)
where:
Base-Base interactions energy: -1252.852
where: short stacking energy: -507.977
Base-Backbone interact. energy: -6.057
local terms energy: -558.226700
where:
bonds (distance) C4'-P energy: -111.413
bonds (distance) P-C4' energy: -115.559
flat angles C4'-P-C4' energy: -121.287
flat angles P-C4'-P energy: -69.063
tors. eta vs tors. theta energy: -140.905
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: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1747.692725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.692725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.692725 (E_RNA)
where:
Base-Base interactions energy: -1204.658
where: short stacking energy: -499.635
Base-Backbone interact. energy: 1.378
local terms energy: -544.412506
where:
bonds (distance) C4'-P energy: -113.001
bonds (distance) P-C4' energy: -99.460
flat angles C4'-P-C4' energy: -106.623
flat angles P-C4'-P energy: -87.715
tors. eta vs tors. theta energy: -137.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1636.625953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.625953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.625953 (E_RNA)
where:
Base-Base interactions energy: -1092.390
where: short stacking energy: -472.507
Base-Backbone interact. energy: -2.797
local terms energy: -541.439023
where:
bonds (distance) C4'-P energy: -103.208
bonds (distance) P-C4' energy: -102.454
flat angles C4'-P-C4' energy: -112.309
flat angles P-C4'-P energy: -78.219
tors. eta vs tors. theta energy: -145.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1531.378390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.378390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.378390 (E_RNA)
where:
Base-Base interactions energy: -1039.175
where: short stacking energy: -448.046
Base-Backbone interact. energy: -0.982
local terms energy: -491.221844
where:
bonds (distance) C4'-P energy: -96.476
bonds (distance) P-C4' energy: -97.931
flat angles C4'-P-C4' energy: -114.700
flat angles P-C4'-P energy: -64.457
tors. eta vs tors. theta energy: -117.658
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: 6
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1425.194281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.194281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.194281 (E_RNA)
where:
Base-Base interactions energy: -950.108
where: short stacking energy: -400.753
Base-Backbone interact. energy: -1.840
local terms energy: -473.245903
where:
bonds (distance) C4'-P energy: -96.843
bonds (distance) P-C4' energy: -97.866
flat angles C4'-P-C4' energy: -93.135
flat angles P-C4'-P energy: -73.364
tors. eta vs tors. theta energy: -112.037
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: 9
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1377.901025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.901025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.901025 (E_RNA)
where:
Base-Base interactions energy: -941.198
where: short stacking energy: -405.979
Base-Backbone interact. energy: -0.070
local terms energy: -436.632243
where:
bonds (distance) C4'-P energy: -90.479
bonds (distance) P-C4' energy: -88.365
flat angles C4'-P-C4' energy: -100.732
flat angles P-C4'-P energy: -40.017
tors. eta vs tors. theta energy: -117.039
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: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1293.445509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.445509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.445509 (E_RNA)
where:
Base-Base interactions energy: -860.204
where: short stacking energy: -368.822
Base-Backbone interact. energy: -1.021
local terms energy: -432.220751
where:
bonds (distance) C4'-P energy: -84.129
bonds (distance) P-C4' energy: -95.776
flat angles C4'-P-C4' energy: -97.899
flat angles P-C4'-P energy: -61.363
tors. eta vs tors. theta energy: -93.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1132.834475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.834475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.834475 (E_RNA)
where:
Base-Base interactions energy: -723.890
where: short stacking energy: -319.476
Base-Backbone interact. energy: -1.495
local terms energy: -407.450124
where:
bonds (distance) C4'-P energy: -92.613
bonds (distance) P-C4' energy: -79.828
flat angles C4'-P-C4' energy: -110.543
flat angles P-C4'-P energy: -50.837
tors. eta vs tors. theta energy: -73.629
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: 3
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -921.587359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.587359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.587359 (E_RNA)
where:
Base-Base interactions energy: -573.357
where: short stacking energy: -247.265
Base-Backbone interact. energy: -1.580
local terms energy: -346.650047
where:
bonds (distance) C4'-P energy: -74.390
bonds (distance) P-C4' energy: -97.663
flat angles C4'-P-C4' energy: -92.715
flat angles P-C4'-P energy: -41.332
tors. eta vs tors. theta energy: -40.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -443.930822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.930822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.930822 (E_RNA)
where:
Base-Base interactions energy: -186.834
where: short stacking energy: -130.926
Base-Backbone interact. energy: -1.516
local terms energy: -255.580007
where:
bonds (distance) C4'-P energy: -81.344
bonds (distance) P-C4' energy: -90.211
flat angles C4'-P-C4' energy: -65.902
flat angles P-C4'-P energy: -46.622
tors. eta vs tors. theta energy: 28.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1857.377020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.377020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.377020 (E_RNA)
where:
Base-Base interactions energy: -1272.196
where: short stacking energy: -543.690
Base-Backbone interact. energy: -4.168
local terms energy: -581.012509
where:
bonds (distance) C4'-P energy: -116.434
bonds (distance) P-C4' energy: -100.288
flat angles C4'-P-C4' energy: -124.525
flat angles P-C4'-P energy: -87.614
tors. eta vs tors. theta energy: -152.152
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: 7
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1777.114939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.114939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.114939 (E_RNA)
where:
Base-Base interactions energy: -1225.176
where: short stacking energy: -541.077
Base-Backbone interact. energy: -3.678
local terms energy: -548.260985
where:
bonds (distance) C4'-P energy: -103.593
bonds (distance) P-C4' energy: -99.480
flat angles C4'-P-C4' energy: -121.622
flat angles P-C4'-P energy: -81.742
tors. eta vs tors. theta energy: -141.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1639.302589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.302589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.302589 (E_RNA)
where:
Base-Base interactions energy: -1099.425
where: short stacking energy: -485.906
Base-Backbone interact. energy: -4.123
local terms energy: -535.755124
where:
bonds (distance) C4'-P energy: -95.235
bonds (distance) P-C4' energy: -105.378
flat angles C4'-P-C4' energy: -107.764
flat angles P-C4'-P energy: -74.816
tors. eta vs tors. theta energy: -152.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1552.246682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.246682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.246682 (E_RNA)
where:
Base-Base interactions energy: -1043.004
where: short stacking energy: -460.024
Base-Backbone interact. energy: -2.501
local terms energy: -506.741629
where:
bonds (distance) C4'-P energy: -81.730
bonds (distance) P-C4' energy: -102.669
flat angles C4'-P-C4' energy: -112.614
flat angles P-C4'-P energy: -77.250
tors. eta vs tors. theta energy: -132.479
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: 6
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1455.063479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.063479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.063479 (E_RNA)
where:
Base-Base interactions energy: -966.929
where: short stacking energy: -419.243
Base-Backbone interact. energy: -2.016
local terms energy: -486.118266
where:
bonds (distance) C4'-P energy: -91.148
bonds (distance) P-C4' energy: -102.715
flat angles C4'-P-C4' energy: -108.034
flat angles P-C4'-P energy: -76.179
tors. eta vs tors. theta energy: -108.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1380.210685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.210685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.210685 (E_RNA)
where:
Base-Base interactions energy: -944.906
where: short stacking energy: -431.046
Base-Backbone interact. energy: 4.935
local terms energy: -440.239077
where:
bonds (distance) C4'-P energy: -96.529
bonds (distance) P-C4' energy: -79.781
flat angles C4'-P-C4' energy: -97.502
flat angles P-C4'-P energy: -55.267
tors. eta vs tors. theta energy: -111.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1301.178117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.178117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.178117 (E_RNA)
where:
Base-Base interactions energy: -868.057
where: short stacking energy: -353.608
Base-Backbone interact. energy: -3.490
local terms energy: -429.631166
where:
bonds (distance) C4'-P energy: -94.036
bonds (distance) P-C4' energy: -85.291
flat angles C4'-P-C4' energy: -96.886
flat angles P-C4'-P energy: -63.442
tors. eta vs tors. theta energy: -89.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1081.177249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.177249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.177249 (E_RNA)
where:
Base-Base interactions energy: -707.859
where: short stacking energy: -318.190
Base-Backbone interact. energy: 2.929
local terms energy: -376.246614
where:
bonds (distance) C4'-P energy: -99.177
bonds (distance) P-C4' energy: -94.340
flat angles C4'-P-C4' energy: -86.154
flat angles P-C4'-P energy: -48.060
tors. eta vs tors. theta energy: -48.516
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: 9, replica: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -931.561722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.561722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.561722 (E_RNA)
where:
Base-Base interactions energy: -564.363
where: short stacking energy: -259.588
Base-Backbone interact. energy: 3.017
local terms energy: -370.215833
where:
bonds (distance) C4'-P energy: -86.875
bonds (distance) P-C4' energy: -92.853
flat angles C4'-P-C4' energy: -97.696
flat angles P-C4'-P energy: -48.713
tors. eta vs tors. theta energy: -44.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -443.459748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.459748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.459748 (E_RNA)
where:
Base-Base interactions energy: -156.005
where: short stacking energy: -98.958
Base-Backbone interact. energy: 0.546
local terms energy: -288.000787
where:
bonds (distance) C4'-P energy: -79.596
bonds (distance) P-C4' energy: -92.875
flat angles C4'-P-C4' energy: -84.687
flat angles P-C4'-P energy: -45.753
tors. eta vs tors. theta energy: 14.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1838.059457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.059457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.059457 (E_RNA)
where:
Base-Base interactions energy: -1274.500
where: short stacking energy: -538.927
Base-Backbone interact. energy: -4.121
local terms energy: -559.438730
where:
bonds (distance) C4'-P energy: -106.903
bonds (distance) P-C4' energy: -109.334
flat angles C4'-P-C4' energy: -120.025
flat angles P-C4'-P energy: -79.558
tors. eta vs tors. theta energy: -143.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1790.339226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.339226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.339226 (E_RNA)
where:
Base-Base interactions energy: -1239.320
where: short stacking energy: -531.991
Base-Backbone interact. energy: -4.056
local terms energy: -546.962977
where:
bonds (distance) C4'-P energy: -104.424
bonds (distance) P-C4' energy: -104.346
flat angles C4'-P-C4' energy: -117.939
flat angles P-C4'-P energy: -69.450
tors. eta vs tors. theta energy: -150.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1686.934018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.934018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.934018 (E_RNA)
where:
Base-Base interactions energy: -1141.790
where: short stacking energy: -517.764
Base-Backbone interact. energy: -0.408
local terms energy: -544.736665
where:
bonds (distance) C4'-P energy: -98.251
bonds (distance) P-C4' energy: -99.852
flat angles C4'-P-C4' energy: -113.871
flat angles P-C4'-P energy: -80.350
tors. eta vs tors. theta energy: -152.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1543.321635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.321635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.321635 (E_RNA)
where:
Base-Base interactions energy: -1028.272
where: short stacking energy: -449.787
Base-Backbone interact. energy: 0.033
local terms energy: -515.082635
where:
bonds (distance) C4'-P energy: -103.628
bonds (distance) P-C4' energy: -106.500
flat angles C4'-P-C4' energy: -107.547
flat angles P-C4'-P energy: -75.064
tors. eta vs tors. theta energy: -122.344
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: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1409.923866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.923866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.923866 (E_RNA)
where:
Base-Base interactions energy: -934.521
where: short stacking energy: -420.266
Base-Backbone interact. energy: -1.954
local terms energy: -473.448673
where:
bonds (distance) C4'-P energy: -90.976
bonds (distance) P-C4' energy: -104.258
flat angles C4'-P-C4' energy: -108.021
flat angles P-C4'-P energy: -69.308
tors. eta vs tors. theta energy: -100.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1394.925753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.925753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.925753 (E_RNA)
where:
Base-Base interactions energy: -940.861
where: short stacking energy: -410.327
Base-Backbone interact. energy: -0.592
local terms energy: -453.472924
where:
bonds (distance) C4'-P energy: -86.612
bonds (distance) P-C4' energy: -100.998
flat angles C4'-P-C4' energy: -98.277
flat angles P-C4'-P energy: -63.127
tors. eta vs tors. theta energy: -104.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1355.959406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.959406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.959406 (E_RNA)
where:
Base-Base interactions energy: -881.484
where: short stacking energy: -378.608
Base-Backbone interact. energy: -1.773
local terms energy: -472.702043
where:
bonds (distance) C4'-P energy: -90.543
bonds (distance) P-C4' energy: -94.570
flat angles C4'-P-C4' energy: -110.465
flat angles P-C4'-P energy: -80.992
tors. eta vs tors. theta energy: -96.133
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: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1032.771708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.771708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.771708 (E_RNA)
where:
Base-Base interactions energy: -661.624
where: short stacking energy: -295.425
Base-Backbone interact. energy: -1.839
local terms energy: -369.308841
where:
bonds (distance) C4'-P energy: -85.038
bonds (distance) P-C4' energy: -90.512
flat angles C4'-P-C4' energy: -80.705
flat angles P-C4'-P energy: -62.064
tors. eta vs tors. theta energy: -50.990
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: 3
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -970.403405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.403405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.403405 (E_RNA)
where:
Base-Base interactions energy: -617.797
where: short stacking energy: -298.757
Base-Backbone interact. energy: 2.842
local terms energy: -355.448346
where:
bonds (distance) C4'-P energy: -79.758
bonds (distance) P-C4' energy: -94.697
flat angles C4'-P-C4' energy: -75.669
flat angles P-C4'-P energy: -54.625
tors. eta vs tors. theta energy: -50.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -498.782347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.782347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.782347 (E_RNA)
where:
Base-Base interactions energy: -201.228
where: short stacking energy: -146.016
Base-Backbone interact. energy: -0.326
local terms energy: -297.228923
where:
bonds (distance) C4'-P energy: -85.079
bonds (distance) P-C4' energy: -93.604
flat angles C4'-P-C4' energy: -79.510
flat angles P-C4'-P energy: -41.486
tors. eta vs tors. theta energy: 2.450
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: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1804.419598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.419598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.419598 (E_RNA)
where:
Base-Base interactions energy: -1250.439
where: short stacking energy: -502.873
Base-Backbone interact. energy: -1.336
local terms energy: -552.644535
where:
bonds (distance) C4'-P energy: -120.100
bonds (distance) P-C4' energy: -93.741
flat angles C4'-P-C4' energy: -120.543
flat angles P-C4'-P energy: -79.011
tors. eta vs tors. theta energy: -139.250
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: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1808.412848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.412848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.412848 (E_RNA)
where:
Base-Base interactions energy: -1215.419
where: short stacking energy: -526.575
Base-Backbone interact. energy: -2.450
local terms energy: -590.544305
where:
bonds (distance) C4'-P energy: -120.897
bonds (distance) P-C4' energy: -105.300
flat angles C4'-P-C4' energy: -119.546
flat angles P-C4'-P energy: -90.771
tors. eta vs tors. theta energy: -154.031
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: 3, replica: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1651.656220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.656220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.656220 (E_RNA)
where:
Base-Base interactions energy: -1106.197
where: short stacking energy: -477.745
Base-Backbone interact. energy: -5.287
local terms energy: -540.172619
where:
bonds (distance) C4'-P energy: -110.984
bonds (distance) P-C4' energy: -97.930
flat angles C4'-P-C4' energy: -106.509
flat angles P-C4'-P energy: -80.571
tors. eta vs tors. theta energy: -144.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1500.430402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.430402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.430402 (E_RNA)
where:
Base-Base interactions energy: -1025.094
where: short stacking energy: -460.266
Base-Backbone interact. energy: -0.208
local terms energy: -475.127615
where:
bonds (distance) C4'-P energy: -99.588
bonds (distance) P-C4' energy: -93.251
flat angles C4'-P-C4' energy: -103.800
flat angles P-C4'-P energy: -70.944
tors. eta vs tors. theta energy: -107.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1479.595521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.595521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.595521 (E_RNA)
where:
Base-Base interactions energy: -976.354
where: short stacking energy: -436.866
Base-Backbone interact. energy: -0.596
local terms energy: -502.645771
where:
bonds (distance) C4'-P energy: -100.148
bonds (distance) P-C4' energy: -104.097
flat angles C4'-P-C4' energy: -108.672
flat angles P-C4'-P energy: -71.946
tors. eta vs tors. theta energy: -117.783
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: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1383.465793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.465793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.465793 (E_RNA)
where:
Base-Base interactions energy: -924.634
where: short stacking energy: -403.564
Base-Backbone interact. energy: 0.594
local terms energy: -459.426563
where:
bonds (distance) C4'-P energy: -90.072
bonds (distance) P-C4' energy: -111.834
flat angles C4'-P-C4' energy: -94.792
flat angles P-C4'-P energy: -66.020
tors. eta vs tors. theta energy: -96.710
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: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1308.447351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.447351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.447351 (E_RNA)
where:
Base-Base interactions energy: -858.766
where: short stacking energy: -376.030
Base-Backbone interact. energy: -2.842
local terms energy: -446.839320
where:
bonds (distance) C4'-P energy: -91.504
bonds (distance) P-C4' energy: -95.145
flat angles C4'-P-C4' energy: -94.098
flat angles P-C4'-P energy: -64.811
tors. eta vs tors. theta energy: -101.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1022.360648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.360648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.360648 (E_RNA)
where:
Base-Base interactions energy: -649.974
where: short stacking energy: -316.916
Base-Backbone interact. energy: -2.694
local terms energy: -369.692889
where:
bonds (distance) C4'-P energy: -98.175
bonds (distance) P-C4' energy: -79.784
flat angles C4'-P-C4' energy: -94.133
flat angles P-C4'-P energy: -37.412
tors. eta vs tors. theta energy: -60.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -957.183032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.183032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.183032 (E_RNA)
where:
Base-Base interactions energy: -627.980
where: short stacking energy: -263.929
Base-Backbone interact. energy: 9.449
local terms energy: -338.651886
where:
bonds (distance) C4'-P energy: -79.253
bonds (distance) P-C4' energy: -78.336
flat angles C4'-P-C4' energy: -82.043
flat angles P-C4'-P energy: -60.378
tors. eta vs tors. theta energy: -38.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -450.275601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.275601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.275601 (E_RNA)
where:
Base-Base interactions energy: -174.013
where: short stacking energy: -126.524
Base-Backbone interact. energy: -0.616
local terms energy: -275.646956
where:
bonds (distance) C4'-P energy: -93.559
bonds (distance) P-C4' energy: -78.255
flat angles C4'-P-C4' energy: -83.171
flat angles P-C4'-P energy: -48.633
tors. eta vs tors. theta energy: 27.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1825.104133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.104133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.104133 (E_RNA)
where:
Base-Base interactions energy: -1254.607
where: short stacking energy: -527.209
Base-Backbone interact. energy: -1.925
local terms energy: -568.571772
where:
bonds (distance) C4'-P energy: -100.134
bonds (distance) P-C4' energy: -116.720
flat angles C4'-P-C4' energy: -122.190
flat angles P-C4'-P energy: -78.938
tors. eta vs tors. theta energy: -150.590
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: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1725.319322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.319322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.319322 (E_RNA)
where:
Base-Base interactions energy: -1195.992
where: short stacking energy: -475.857
Base-Backbone interact. energy: 0.751
local terms energy: -530.077991
where:
bonds (distance) C4'-P energy: -97.816
bonds (distance) P-C4' energy: -112.392
flat angles C4'-P-C4' energy: -119.276
flat angles P-C4'-P energy: -81.232
tors. eta vs tors. theta energy: -119.362
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: 258
Temperature: 1.000000
Total energy: -1621.745022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.745022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.745022 (E_RNA)
where:
Base-Base interactions energy: -1079.579
where: short stacking energy: -513.516
Base-Backbone interact. energy: -1.628
local terms energy: -540.538467
where:
bonds (distance) C4'-P energy: -102.274
bonds (distance) P-C4' energy: -109.505
flat angles C4'-P-C4' energy: -122.108
flat angles P-C4'-P energy: -65.504
tors. eta vs tors. theta energy: -141.147
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: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1513.501437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.501437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.501437 (E_RNA)
where:
Base-Base interactions energy: -1016.162
where: short stacking energy: -454.774
Base-Backbone interact. energy: -2.425
local terms energy: -494.914113
where:
bonds (distance) C4'-P energy: -92.951
bonds (distance) P-C4' energy: -103.349
flat angles C4'-P-C4' energy: -110.862
flat angles P-C4'-P energy: -72.561
tors. eta vs tors. theta energy: -115.192
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: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1500.420046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.420046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.420046 (E_RNA)
where:
Base-Base interactions energy: -997.782
where: short stacking energy: -453.685
Base-Backbone interact. energy: -0.640
local terms energy: -501.998315
where:
bonds (distance) C4'-P energy: -97.710
bonds (distance) P-C4' energy: -89.379
flat angles C4'-P-C4' energy: -111.209
flat angles P-C4'-P energy: -75.415
tors. eta vs tors. theta energy: -128.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1415.828406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.828406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.828406 (E_RNA)
where:
Base-Base interactions energy: -958.376
where: short stacking energy: -432.065
Base-Backbone interact. energy: 1.777
local terms energy: -459.229327
where:
bonds (distance) C4'-P energy: -92.897
bonds (distance) P-C4' energy: -72.249
flat angles C4'-P-C4' energy: -108.951
flat angles P-C4'-P energy: -78.122
tors. eta vs tors. theta energy: -107.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1352.919822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.919822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.919822 (E_RNA)
where:
Base-Base interactions energy: -905.969
where: short stacking energy: -406.230
Base-Backbone interact. energy: 0.780
local terms energy: -447.731258
where:
bonds (distance) C4'-P energy: -88.896
bonds (distance) P-C4' energy: -97.523
flat angles C4'-P-C4' energy: -111.427
flat angles P-C4'-P energy: -59.074
tors. eta vs tors. theta energy: -90.810
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: 8, replica: 3
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1048.496674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.496674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.496674 (E_RNA)
where:
Base-Base interactions energy: -647.159
where: short stacking energy: -310.836
Base-Backbone interact. energy: -1.813
local terms energy: -399.524248
where:
bonds (distance) C4'-P energy: -84.864
bonds (distance) P-C4' energy: -96.273
flat angles C4'-P-C4' energy: -92.232
flat angles P-C4'-P energy: -67.353
tors. eta vs tors. theta energy: -58.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -908.675671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.675671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.675671 (E_RNA)
where:
Base-Base interactions energy: -574.296
where: short stacking energy: -242.548
Base-Backbone interact. energy: -0.972
local terms energy: -333.407555
where:
bonds (distance) C4'-P energy: -71.118
bonds (distance) P-C4' energy: -83.061
flat angles C4'-P-C4' energy: -89.498
flat angles P-C4'-P energy: -52.595
tors. eta vs tors. theta energy: -37.136
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: 258
Temperature: 1.350000
Total energy: -482.889511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.889511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.889511 (E_RNA)
where:
Base-Base interactions energy: -216.103
where: short stacking energy: -117.917
Base-Backbone interact. energy: -2.898
local terms energy: -263.888683
where:
bonds (distance) C4'-P energy: -74.872
bonds (distance) P-C4' energy: -93.000
flat angles C4'-P-C4' energy: -75.907
flat angles P-C4'-P energy: -45.435
tors. eta vs tors. theta energy: 25.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1838.450987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.450987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.450987 (E_RNA)
where:
Base-Base interactions energy: -1276.024
where: short stacking energy: -542.204
Base-Backbone interact. energy: -1.847
local terms energy: -560.579131
where:
bonds (distance) C4'-P energy: -110.625
bonds (distance) P-C4' energy: -103.316
flat angles C4'-P-C4' energy: -121.827
flat angles P-C4'-P energy: -76.370
tors. eta vs tors. theta energy: -148.441
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: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1739.608098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.608098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.608098 (E_RNA)
where:
Base-Base interactions energy: -1205.281
where: short stacking energy: -496.657
Base-Backbone interact. energy: 1.293
local terms energy: -535.619496
where:
bonds (distance) C4'-P energy: -101.227
bonds (distance) P-C4' energy: -105.862
flat angles C4'-P-C4' energy: -111.575
flat angles P-C4'-P energy: -88.412
tors. eta vs tors. theta energy: -128.544
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: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1631.103046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.103046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.103046 (E_RNA)
where:
Base-Base interactions energy: -1101.412
where: short stacking energy: -478.206
Base-Backbone interact. energy: -6.693
local terms energy: -522.998561
where:
bonds (distance) C4'-P energy: -98.773
bonds (distance) P-C4' energy: -106.144
flat angles C4'-P-C4' energy: -104.398
flat angles P-C4'-P energy: -85.062
tors. eta vs tors. theta energy: -128.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1485.352913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.352913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.352913 (E_RNA)
where:
Base-Base interactions energy: -1013.874
where: short stacking energy: -441.525
Base-Backbone interact. energy: -2.007
local terms energy: -469.472226
where:
bonds (distance) C4'-P energy: -95.565
bonds (distance) P-C4' energy: -98.685
flat angles C4'-P-C4' energy: -94.611
flat angles P-C4'-P energy: -69.970
tors. eta vs tors. theta energy: -110.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1468.286033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.286033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.286033 (E_RNA)
where:
Base-Base interactions energy: -956.328
where: short stacking energy: -411.930
Base-Backbone interact. energy: -1.068
local terms energy: -510.890546
where:
bonds (distance) C4'-P energy: -91.850
bonds (distance) P-C4' energy: -123.952
flat angles C4'-P-C4' energy: -105.143
flat angles P-C4'-P energy: -80.766
tors. eta vs tors. theta energy: -109.179
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: 259
Temperature: 1.150000
Total energy: -1434.584695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.584695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.584695 (E_RNA)
where:
Base-Base interactions energy: -967.567
where: short stacking energy: -381.069
Base-Backbone interact. energy: -1.256
local terms energy: -465.761749
where:
bonds (distance) C4'-P energy: -78.940
bonds (distance) P-C4' energy: -104.359
flat angles C4'-P-C4' energy: -106.972
flat angles P-C4'-P energy: -73.398
tors. eta vs tors. theta energy: -102.093
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: 7, replica: 9
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1368.602474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.602474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.602474 (E_RNA)
where:
Base-Base interactions energy: -915.161
where: short stacking energy: -424.672
Base-Backbone interact. energy: -0.249
local terms energy: -453.192088
where:
bonds (distance) C4'-P energy: -91.187
bonds (distance) P-C4' energy: -94.968
flat angles C4'-P-C4' energy: -100.988
flat angles P-C4'-P energy: -45.033
tors. eta vs tors. theta energy: -121.016
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: 8, replica: 3
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -963.212114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.212114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.212114 (E_RNA)
where:
Base-Base interactions energy: -593.507
where: short stacking energy: -288.433
Base-Backbone interact. energy: 0.926
local terms energy: -370.631083
where:
bonds (distance) C4'-P energy: -81.533
bonds (distance) P-C4' energy: -75.098
flat angles C4'-P-C4' energy: -91.838
flat angles P-C4'-P energy: -70.390
tors. eta vs tors. theta energy: -51.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -885.079327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.079327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.079327 (E_RNA)
where:
Base-Base interactions energy: -517.853
where: short stacking energy: -250.599
Base-Backbone interact. energy: 0.345
local terms energy: -367.571429
where:
bonds (distance) C4'-P energy: -104.426
bonds (distance) P-C4' energy: -81.824
flat angles C4'-P-C4' energy: -88.043
flat angles P-C4'-P energy: -57.255
tors. eta vs tors. theta energy: -36.024
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: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -499.052869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.052869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.052869 (E_RNA)
where:
Base-Base interactions energy: -242.432
where: short stacking energy: -167.787
Base-Backbone interact. energy: 8.008
local terms energy: -264.628596
where:
bonds (distance) C4'-P energy: -94.396
bonds (distance) P-C4' energy: -94.369
flat angles C4'-P-C4' energy: -64.397
flat angles P-C4'-P energy: -27.153
tors. eta vs tors. theta energy: 15.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1839.961011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.961011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.961011 (E_RNA)
where:
Base-Base interactions energy: -1250.149
where: short stacking energy: -529.570
Base-Backbone interact. energy: -2.621
local terms energy: -587.190706
where:
bonds (distance) C4'-P energy: -111.100
bonds (distance) P-C4' energy: -106.102
flat angles C4'-P-C4' energy: -129.167
flat angles P-C4'-P energy: -89.778
tors. eta vs tors. theta energy: -151.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1760.937245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.937245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.937245 (E_RNA)
where:
Base-Base interactions energy: -1190.766
where: short stacking energy: -506.463
Base-Backbone interact. energy: -3.573
local terms energy: -566.598130
where:
bonds (distance) C4'-P energy: -99.742
bonds (distance) P-C4' energy: -108.309
flat angles C4'-P-C4' energy: -124.326
flat angles P-C4'-P energy: -83.963
tors. eta vs tors. theta energy: -150.258
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: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1622.401508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.401508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.401508 (E_RNA)
where:
Base-Base interactions energy: -1092.115
where: short stacking energy: -482.555
Base-Backbone interact. energy: -1.471
local terms energy: -528.815684
where:
bonds (distance) C4'-P energy: -104.301
bonds (distance) P-C4' energy: -107.336
flat angles C4'-P-C4' energy: -106.778
flat angles P-C4'-P energy: -83.845
tors. eta vs tors. theta energy: -126.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1508.826937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.826937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.826937 (E_RNA)
where:
Base-Base interactions energy: -996.703
where: short stacking energy: -436.515
Base-Backbone interact. energy: 0.716
local terms energy: -512.839952
where:
bonds (distance) C4'-P energy: -96.856
bonds (distance) P-C4' energy: -114.159
flat angles C4'-P-C4' energy: -108.750
flat angles P-C4'-P energy: -76.443
tors. eta vs tors. theta energy: -116.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1471.631152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.631152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.631152 (E_RNA)
where:
Base-Base interactions energy: -988.416
where: short stacking energy: -421.707
Base-Backbone interact. energy: -1.375
local terms energy: -481.840229
where:
bonds (distance) C4'-P energy: -95.455
bonds (distance) P-C4' energy: -91.774
flat angles C4'-P-C4' energy: -109.206
flat angles P-C4'-P energy: -75.415
tors. eta vs tors. theta energy: -109.989
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: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1440.024196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.024196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.024196 (E_RNA)
where:
Base-Base interactions energy: -975.260
where: short stacking energy: -422.159
Base-Backbone interact. energy: -1.465
local terms energy: -463.299199
where:
bonds (distance) C4'-P energy: -82.924
bonds (distance) P-C4' energy: -114.126
flat angles C4'-P-C4' energy: -107.182
flat angles P-C4'-P energy: -60.888
tors. eta vs tors. theta energy: -98.179
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: 7, replica: 9
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1351.155064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.155064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.155064 (E_RNA)
where:
Base-Base interactions energy: -877.105
where: short stacking energy: -388.227
Base-Backbone interact. energy: 0.840
local terms energy: -474.890247
where:
bonds (distance) C4'-P energy: -107.144
bonds (distance) P-C4' energy: -102.115
flat angles C4'-P-C4' energy: -97.965
flat angles P-C4'-P energy: -62.641
tors. eta vs tors. theta energy: -105.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -970.242295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.242295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.242295 (E_RNA)
where:
Base-Base interactions energy: -590.481
where: short stacking energy: -264.821
Base-Backbone interact. energy: 2.878
local terms energy: -382.639405
where:
bonds (distance) C4'-P energy: -103.466
bonds (distance) P-C4' energy: -97.357
flat angles C4'-P-C4' energy: -87.247
flat angles P-C4'-P energy: -59.573
tors. eta vs tors. theta energy: -34.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -942.236609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.236609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.236609 (E_RNA)
where:
Base-Base interactions energy: -598.251
where: short stacking energy: -259.052
Base-Backbone interact. energy: 2.155
local terms energy: -346.140339
where:
bonds (distance) C4'-P energy: -75.253
bonds (distance) P-C4' energy: -88.530
flat angles C4'-P-C4' energy: -83.588
flat angles P-C4'-P energy: -66.893
tors. eta vs tors. theta energy: -31.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -480.498657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.498657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.498657 (E_RNA)
where:
Base-Base interactions energy: -203.812
where: short stacking energy: -135.115
Base-Backbone interact. energy: 1.743
local terms energy: -278.429058
where:
bonds (distance) C4'-P energy: -89.076
bonds (distance) P-C4' energy: -106.909
flat angles C4'-P-C4' energy: -68.053
flat angles P-C4'-P energy: -33.701
tors. eta vs tors. theta energy: 19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1849.501239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.501239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.501239 (E_RNA)
where:
Base-Base interactions energy: -1259.191
where: short stacking energy: -520.741
Base-Backbone interact. energy: -0.534
local terms energy: -589.775410
where:
bonds (distance) C4'-P energy: -106.979
bonds (distance) P-C4' energy: -112.965
flat angles C4'-P-C4' energy: -118.341
flat angles P-C4'-P energy: -91.526
tors. eta vs tors. theta energy: -159.964
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: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1764.387980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.387980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.387980 (E_RNA)
where:
Base-Base interactions energy: -1222.114
where: short stacking energy: -538.440
Base-Backbone interact. energy: -2.538
local terms energy: -539.736205
where:
bonds (distance) C4'-P energy: -106.718
bonds (distance) P-C4' energy: -92.631
flat angles C4'-P-C4' energy: -118.134
flat angles P-C4'-P energy: -69.844
tors. eta vs tors. theta energy: -152.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1602.518297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.518297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.518297 (E_RNA)
where:
Base-Base interactions energy: -1085.024
where: short stacking energy: -477.196
Base-Backbone interact. energy: -0.465
local terms energy: -517.029017
where:
bonds (distance) C4'-P energy: -100.034
bonds (distance) P-C4' energy: -104.288
flat angles C4'-P-C4' energy: -127.954
flat angles P-C4'-P energy: -68.317
tors. eta vs tors. theta energy: -116.436
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: 261
Temperature: 1.050000
Total energy: -1522.195224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.195224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.195224 (E_RNA)
where:
Base-Base interactions energy: -997.430
where: short stacking energy: -453.346
Base-Backbone interact. energy: -4.706
local terms energy: -520.059257
where:
bonds (distance) C4'-P energy: -110.896
bonds (distance) P-C4' energy: -108.271
flat angles C4'-P-C4' energy: -108.294
flat angles P-C4'-P energy: -74.824
tors. eta vs tors. theta energy: -117.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1460.848668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.848668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.848668 (E_RNA)
where:
Base-Base interactions energy: -976.310
where: short stacking energy: -442.453
Base-Backbone interact. energy: -3.999
local terms energy: -480.538777
where:
bonds (distance) C4'-P energy: -92.571
bonds (distance) P-C4' energy: -105.093
flat angles C4'-P-C4' energy: -104.956
flat angles P-C4'-P energy: -66.986
tors. eta vs tors. theta energy: -110.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1385.054027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.054027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.054027 (E_RNA)
where:
Base-Base interactions energy: -948.070
where: short stacking energy: -409.593
Base-Backbone interact. energy: -1.992
local terms energy: -434.992416
where:
bonds (distance) C4'-P energy: -93.712
bonds (distance) P-C4' energy: -84.292
flat angles C4'-P-C4' energy: -93.308
flat angles P-C4'-P energy: -65.370
tors. eta vs tors. theta energy: -98.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1421.716589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.716589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.716589 (E_RNA)
where:
Base-Base interactions energy: -955.910
where: short stacking energy: -412.531
Base-Backbone interact. energy: -2.269
local terms energy: -463.537399
where:
bonds (distance) C4'-P energy: -102.780
bonds (distance) P-C4' energy: -91.982
flat angles C4'-P-C4' energy: -96.620
flat angles P-C4'-P energy: -63.260
tors. eta vs tors. theta energy: -108.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1014.786831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.786831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.786831 (E_RNA)
where:
Base-Base interactions energy: -627.544
where: short stacking energy: -272.634
Base-Backbone interact. energy: -1.056
local terms energy: -386.186106
where:
bonds (distance) C4'-P energy: -97.000
bonds (distance) P-C4' energy: -97.227
flat angles C4'-P-C4' energy: -93.060
flat angles P-C4'-P energy: -63.417
tors. eta vs tors. theta energy: -35.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -930.845414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.845414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.845414 (E_RNA)
where:
Base-Base interactions energy: -573.943
where: short stacking energy: -255.987
Base-Backbone interact. energy: -2.153
local terms energy: -354.749023
where:
bonds (distance) C4'-P energy: -92.150
bonds (distance) P-C4' energy: -92.130
flat angles C4'-P-C4' energy: -79.592
flat angles P-C4'-P energy: -58.733
tors. eta vs tors. theta energy: -32.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -503.253890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.253890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.253890 (E_RNA)
where:
Base-Base interactions energy: -213.912
where: short stacking energy: -151.239
Base-Backbone interact. energy: 0.638
local terms energy: -289.980013
where:
bonds (distance) C4'-P energy: -89.751
bonds (distance) P-C4' energy: -88.883
flat angles C4'-P-C4' energy: -73.733
flat angles P-C4'-P energy: -45.764
tors. eta vs tors. theta energy: 8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1833.989828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.989828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.989828 (E_RNA)
where:
Base-Base interactions energy: -1260.898
where: short stacking energy: -524.202
Base-Backbone interact. energy: -2.901
local terms energy: -570.190608
where:
bonds (distance) C4'-P energy: -98.829
bonds (distance) P-C4' energy: -115.560
flat angles C4'-P-C4' energy: -122.221
flat angles P-C4'-P energy: -86.108
tors. eta vs tors. theta energy: -147.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1744.211984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.211984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.211984 (E_RNA)
where:
Base-Base interactions energy: -1214.910
where: short stacking energy: -496.985
Base-Backbone interact. energy: 2.872
local terms energy: -532.173718
where:
bonds (distance) C4'-P energy: -114.666
bonds (distance) P-C4' energy: -101.203
flat angles C4'-P-C4' energy: -106.455
flat angles P-C4'-P energy: -73.661
tors. eta vs tors. theta energy: -136.189
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: 4
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1604.878306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.878306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.878306 (E_RNA)
where:
Base-Base interactions energy: -1079.433
where: short stacking energy: -458.021
Base-Backbone interact. energy: 0.006
local terms energy: -525.451042
where:
bonds (distance) C4'-P energy: -111.312
bonds (distance) P-C4' energy: -111.269
flat angles C4'-P-C4' energy: -114.664
flat angles P-C4'-P energy: -66.680
tors. eta vs tors. theta energy: -121.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1566.584120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.584120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.584120 (E_RNA)
where:
Base-Base interactions energy: -1057.935
where: short stacking energy: -454.263
Base-Backbone interact. energy: 2.602
local terms energy: -511.251756
where:
bonds (distance) C4'-P energy: -103.877
bonds (distance) P-C4' energy: -96.867
flat angles C4'-P-C4' energy: -109.107
flat angles P-C4'-P energy: -80.630
tors. eta vs tors. theta energy: -120.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1457.936249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.936249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.936249 (E_RNA)
where:
Base-Base interactions energy: -982.069
where: short stacking energy: -409.311
Base-Backbone interact. energy: -1.274
local terms energy: -474.593702
where:
bonds (distance) C4'-P energy: -92.778
bonds (distance) P-C4' energy: -90.298
flat angles C4'-P-C4' energy: -107.074
flat angles P-C4'-P energy: -85.827
tors. eta vs tors. theta energy: -98.617
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: 262
Temperature: 1.150000
Total energy: -1413.491505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.491505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.491505 (E_RNA)
where:
Base-Base interactions energy: -948.531
where: short stacking energy: -403.885
Base-Backbone interact. energy: 1.060
local terms energy: -466.020329
where:
bonds (distance) C4'-P energy: -88.247
bonds (distance) P-C4' energy: -94.897
flat angles C4'-P-C4' energy: -94.679
flat angles P-C4'-P energy: -65.467
tors. eta vs tors. theta energy: -122.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1346.836438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.836438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.836438 (E_RNA)
where:
Base-Base interactions energy: -886.576
where: short stacking energy: -360.571
Base-Backbone interact. energy: -4.962
local terms energy: -455.298395
where:
bonds (distance) C4'-P energy: -91.133
bonds (distance) P-C4' energy: -106.497
flat angles C4'-P-C4' energy: -90.287
flat angles P-C4'-P energy: -75.105
tors. eta vs tors. theta energy: -92.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1028.540629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.540629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.540629 (E_RNA)
where:
Base-Base interactions energy: -667.504
where: short stacking energy: -300.885
Base-Backbone interact. energy: 3.844
local terms energy: -364.880574
where:
bonds (distance) C4'-P energy: -97.408
bonds (distance) P-C4' energy: -84.354
flat angles C4'-P-C4' energy: -69.649
flat angles P-C4'-P energy: -61.769
tors. eta vs tors. theta energy: -51.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -840.128758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.128758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.128758 (E_RNA)
where:
Base-Base interactions energy: -472.486
where: short stacking energy: -231.348
Base-Backbone interact. energy: 0.636
local terms energy: -368.278508
where:
bonds (distance) C4'-P energy: -92.081
bonds (distance) P-C4' energy: -99.246
flat angles C4'-P-C4' energy: -98.894
flat angles P-C4'-P energy: -42.770
tors. eta vs tors. theta energy: -35.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -531.593067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.593067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.593067 (E_RNA)
where:
Base-Base interactions energy: -237.553
where: short stacking energy: -141.362
Base-Backbone interact. energy: 0.393
local terms energy: -294.432754
where:
bonds (distance) C4'-P energy: -79.845
bonds (distance) P-C4' energy: -90.551
flat angles C4'-P-C4' energy: -79.090
flat angles P-C4'-P energy: -49.945
tors. eta vs tors. theta energy: 4.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1862.912391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.912391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.912391 (E_RNA)
where:
Base-Base interactions energy: -1298.495
where: short stacking energy: -523.999
Base-Backbone interact. energy: -0.385
local terms energy: -564.031945
where:
bonds (distance) C4'-P energy: -106.320
bonds (distance) P-C4' energy: -111.955
flat angles C4'-P-C4' energy: -119.467
flat angles P-C4'-P energy: -75.732
tors. eta vs tors. theta energy: -150.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1753.294131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.294131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.294131 (E_RNA)
where:
Base-Base interactions energy: -1210.131
where: short stacking energy: -519.067
Base-Backbone interact. energy: 1.820
local terms energy: -544.983904
where:
bonds (distance) C4'-P energy: -104.403
bonds (distance) P-C4' energy: -87.435
flat angles C4'-P-C4' energy: -112.273
flat angles P-C4'-P energy: -97.694
tors. eta vs tors. theta energy: -143.179
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: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1612.805355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.805355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.805355 (E_RNA)
where:
Base-Base interactions energy: -1101.677
where: short stacking energy: -484.439
Base-Backbone interact. energy: -0.897
local terms energy: -510.231336
where:
bonds (distance) C4'-P energy: -96.602
bonds (distance) P-C4' energy: -93.587
flat angles C4'-P-C4' energy: -118.674
flat angles P-C4'-P energy: -69.784
tors. eta vs tors. theta energy: -131.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1584.540360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.540360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.540360 (E_RNA)
where:
Base-Base interactions energy: -1057.146
where: short stacking energy: -451.031
Base-Backbone interact. energy: -0.724
local terms energy: -526.670448
where:
bonds (distance) C4'-P energy: -102.747
bonds (distance) P-C4' energy: -104.235
flat angles C4'-P-C4' energy: -125.450
flat angles P-C4'-P energy: -73.278
tors. eta vs tors. theta energy: -120.961
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: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1453.320104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.320104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.320104 (E_RNA)
where:
Base-Base interactions energy: -977.014
where: short stacking energy: -421.928
Base-Backbone interact. energy: -2.501
local terms energy: -473.804291
where:
bonds (distance) C4'-P energy: -96.158
bonds (distance) P-C4' energy: -105.107
flat angles C4'-P-C4' energy: -92.460
flat angles P-C4'-P energy: -70.215
tors. eta vs tors. theta energy: -109.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1402.002615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.002615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.002615 (E_RNA)
where:
Base-Base interactions energy: -932.225
where: short stacking energy: -389.148
Base-Backbone interact. energy: 0.948
local terms energy: -470.725374
where:
bonds (distance) C4'-P energy: -98.708
bonds (distance) P-C4' energy: -93.977
flat angles C4'-P-C4' energy: -103.024
flat angles P-C4'-P energy: -72.274
tors. eta vs tors. theta energy: -102.741
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: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1324.810559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.810559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.810559 (E_RNA)
where:
Base-Base interactions energy: -875.479
where: short stacking energy: -378.112
Base-Backbone interact. energy: 1.771
local terms energy: -451.102405
where:
bonds (distance) C4'-P energy: -104.697
bonds (distance) P-C4' energy: -91.380
flat angles C4'-P-C4' energy: -93.017
flat angles P-C4'-P energy: -69.080
tors. eta vs tors. theta energy: -92.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1051.834157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.834157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.834157 (E_RNA)
where:
Base-Base interactions energy: -647.491
where: short stacking energy: -274.715
Base-Backbone interact. energy: 3.491
local terms energy: -407.834018
where:
bonds (distance) C4'-P energy: -91.234
bonds (distance) P-C4' energy: -105.570
flat angles C4'-P-C4' energy: -96.616
flat angles P-C4'-P energy: -75.032
tors. eta vs tors. theta energy: -39.382
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: 3
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -810.193784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.193784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.193784 (E_RNA)
where:
Base-Base interactions energy: -462.314
where: short stacking energy: -224.464
Base-Backbone interact. energy: -2.721
local terms energy: -345.158731
where:
bonds (distance) C4'-P energy: -84.480
bonds (distance) P-C4' energy: -93.670
flat angles C4'-P-C4' energy: -106.607
flat angles P-C4'-P energy: -44.964
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -472.689869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.689869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.689869 (E_RNA)
where:
Base-Base interactions energy: -216.123
where: short stacking energy: -136.913
Base-Backbone interact. energy: -2.169
local terms energy: -254.397772
where:
bonds (distance) C4'-P energy: -85.734
bonds (distance) P-C4' energy: -75.531
flat angles C4'-P-C4' energy: -84.557
flat angles P-C4'-P energy: -39.366
tors. eta vs tors. theta energy: 30.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1871.537267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.537267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.537267 (E_RNA)
where:
Base-Base interactions energy: -1284.259
where: short stacking energy: -557.254
Base-Backbone interact. energy: -4.383
local terms energy: -582.895316
where:
bonds (distance) C4'-P energy: -101.954
bonds (distance) P-C4' energy: -108.196
flat angles C4'-P-C4' energy: -135.035
flat angles P-C4'-P energy: -85.774
tors. eta vs tors. theta energy: -151.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1704.035970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.035970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.035970 (E_RNA)
where:
Base-Base interactions energy: -1164.503
where: short stacking energy: -519.555
Base-Backbone interact. energy: -3.045
local terms energy: -536.488006
where:
bonds (distance) C4'-P energy: -93.482
bonds (distance) P-C4' energy: -97.454
flat angles C4'-P-C4' energy: -120.858
flat angles P-C4'-P energy: -82.398
tors. eta vs tors. theta energy: -142.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1623.344772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.344772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.344772 (E_RNA)
where:
Base-Base interactions energy: -1089.191
where: short stacking energy: -486.832
Base-Backbone interact. energy: -2.890
local terms energy: -531.263968
where:
bonds (distance) C4'-P energy: -100.363
bonds (distance) P-C4' energy: -113.684
flat angles C4'-P-C4' energy: -120.370
flat angles P-C4'-P energy: -69.060
tors. eta vs tors. theta energy: -127.787
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: 264
Temperature: 1.050000
Total energy: -1560.735410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.735410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.735410 (E_RNA)
where:
Base-Base interactions energy: -1058.267
where: short stacking energy: -481.031
Base-Backbone interact. energy: 1.491
local terms energy: -503.959499
where:
bonds (distance) C4'-P energy: -87.014
bonds (distance) P-C4' energy: -93.446
flat angles C4'-P-C4' energy: -114.351
flat angles P-C4'-P energy: -79.019
tors. eta vs tors. theta energy: -130.130
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: 5, replica: 6
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1456.246270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.246270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.246270 (E_RNA)
where:
Base-Base interactions energy: -957.868
where: short stacking energy: -397.029
Base-Backbone interact. energy: -0.809
local terms energy: -497.569812
where:
bonds (distance) C4'-P energy: -100.084
bonds (distance) P-C4' energy: -99.068
flat angles C4'-P-C4' energy: -119.381
flat angles P-C4'-P energy: -73.883
tors. eta vs tors. theta energy: -105.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1385.468965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.468965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.468965 (E_RNA)
where:
Base-Base interactions energy: -934.328
where: short stacking energy: -396.456
Base-Backbone interact. energy: -1.684
local terms energy: -449.457260
where:
bonds (distance) C4'-P energy: -98.855
bonds (distance) P-C4' energy: -84.765
flat angles C4'-P-C4' energy: -107.896
flat angles P-C4'-P energy: -65.986
tors. eta vs tors. theta energy: -91.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1336.260057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.260057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.260057 (E_RNA)
where:
Base-Base interactions energy: -922.706
where: short stacking energy: -356.237
Base-Backbone interact. energy: -0.545
local terms energy: -413.008807
where:
bonds (distance) C4'-P energy: -94.215
bonds (distance) P-C4' energy: -92.876
flat angles C4'-P-C4' energy: -92.898
flat angles P-C4'-P energy: -49.624
tors. eta vs tors. theta energy: -83.395
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: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -995.755862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.755862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.755862 (E_RNA)
where:
Base-Base interactions energy: -610.469
where: short stacking energy: -277.831
Base-Backbone interact. energy: -0.691
local terms energy: -384.596242
where:
bonds (distance) C4'-P energy: -92.411
bonds (distance) P-C4' energy: -92.607
flat angles C4'-P-C4' energy: -107.372
flat angles P-C4'-P energy: -57.567
tors. eta vs tors. theta energy: -34.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -819.094450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.094450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.094450 (E_RNA)
where:
Base-Base interactions energy: -464.291
where: short stacking energy: -230.755
Base-Backbone interact. energy: 5.241
local terms energy: -360.045173
where:
bonds (distance) C4'-P energy: -86.170
bonds (distance) P-C4' energy: -102.646
flat angles C4'-P-C4' energy: -90.152
flat angles P-C4'-P energy: -53.654
tors. eta vs tors. theta energy: -27.423
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: 264
Temperature: 1.350000
Total energy: -438.044067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.044067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.044067 (E_RNA)
where:
Base-Base interactions energy: -144.268
where: short stacking energy: -115.156
Base-Backbone interact. energy: -0.558
local terms energy: -293.218123
where:
bonds (distance) C4'-P energy: -99.172
bonds (distance) P-C4' energy: -105.040
flat angles C4'-P-C4' energy: -66.851
flat angles P-C4'-P energy: -48.148
tors. eta vs tors. theta energy: 25.993
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: 7
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1856.354955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.354955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.354955 (E_RNA)
where:
Base-Base interactions energy: -1281.665
where: short stacking energy: -553.854
Base-Backbone interact. energy: -2.992
local terms energy: -571.697866
where:
bonds (distance) C4'-P energy: -109.695
bonds (distance) P-C4' energy: -104.162
flat angles C4'-P-C4' energy: -124.999
flat angles P-C4'-P energy: -82.075
tors. eta vs tors. theta energy: -150.767
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: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1764.292614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.292614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.292614 (E_RNA)
where:
Base-Base interactions energy: -1217.214
where: short stacking energy: -508.116
Base-Backbone interact. energy: -2.496
local terms energy: -544.582180
where:
bonds (distance) C4'-P energy: -98.286
bonds (distance) P-C4' energy: -106.787
flat angles C4'-P-C4' energy: -121.926
flat angles P-C4'-P energy: -74.071
tors. eta vs tors. theta energy: -143.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1616.922330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.922330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.922330 (E_RNA)
where:
Base-Base interactions energy: -1105.223
where: short stacking energy: -492.008
Base-Backbone interact. energy: -2.291
local terms energy: -509.408006
where:
bonds (distance) C4'-P energy: -93.235
bonds (distance) P-C4' energy: -100.301
flat angles C4'-P-C4' energy: -121.969
flat angles P-C4'-P energy: -68.468
tors. eta vs tors. theta energy: -125.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1503.571687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.571687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.571687 (E_RNA)
where:
Base-Base interactions energy: -1014.252
where: short stacking energy: -458.388
Base-Backbone interact. energy: 2.147
local terms energy: -491.466934
where:
bonds (distance) C4'-P energy: -86.358
bonds (distance) P-C4' energy: -111.240
flat angles C4'-P-C4' energy: -111.819
flat angles P-C4'-P energy: -66.923
tors. eta vs tors. theta energy: -115.127
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: 6
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1439.155491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.155491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.155491 (E_RNA)
where:
Base-Base interactions energy: -975.208
where: short stacking energy: -424.902
Base-Backbone interact. energy: 0.800
local terms energy: -464.747606
where:
bonds (distance) C4'-P energy: -91.197
bonds (distance) P-C4' energy: -96.035
flat angles C4'-P-C4' energy: -103.562
flat angles P-C4'-P energy: -63.609
tors. eta vs tors. theta energy: -110.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1378.207791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.207791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.207791 (E_RNA)
where:
Base-Base interactions energy: -948.902
where: short stacking energy: -410.892
Base-Backbone interact. energy: -1.242
local terms energy: -428.063971
where:
bonds (distance) C4'-P energy: -77.778
bonds (distance) P-C4' energy: -84.965
flat angles C4'-P-C4' energy: -98.792
flat angles P-C4'-P energy: -69.446
tors. eta vs tors. theta energy: -97.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1352.378538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.378538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.378538 (E_RNA)
where:
Base-Base interactions energy: -894.970
where: short stacking energy: -379.887
Base-Backbone interact. energy: 2.423
local terms energy: -459.831359
where:
bonds (distance) C4'-P energy: -94.179
bonds (distance) P-C4' energy: -91.678
flat angles C4'-P-C4' energy: -100.088
flat angles P-C4'-P energy: -65.223
tors. eta vs tors. theta energy: -108.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -902.085781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.085781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.085781 (E_RNA)
where:
Base-Base interactions energy: -533.815
where: short stacking energy: -261.641
Base-Backbone interact. energy: 1.417
local terms energy: -369.687484
where:
bonds (distance) C4'-P energy: -94.775
bonds (distance) P-C4' energy: -89.550
flat angles C4'-P-C4' energy: -85.797
flat angles P-C4'-P energy: -52.982
tors. eta vs tors. theta energy: -46.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -861.316443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.316443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.316443 (E_RNA)
where:
Base-Base interactions energy: -533.224
where: short stacking energy: -235.741
Base-Backbone interact. energy: 3.532
local terms energy: -331.624332
where:
bonds (distance) C4'-P energy: -80.330
bonds (distance) P-C4' energy: -85.865
flat angles C4'-P-C4' energy: -79.564
flat angles P-C4'-P energy: -61.195
tors. eta vs tors. theta energy: -24.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -410.803522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.803522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.803522 (E_RNA)
where:
Base-Base interactions energy: -143.469
where: short stacking energy: -122.382
Base-Backbone interact. energy: 0.263
local terms energy: -267.597744
where:
bonds (distance) C4'-P energy: -80.956
bonds (distance) P-C4' energy: -88.173
flat angles C4'-P-C4' energy: -75.832
flat angles P-C4'-P energy: -59.274
tors. eta vs tors. theta energy: 36.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1851.545381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.545381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.545381 (E_RNA)
where:
Base-Base interactions energy: -1278.988
where: short stacking energy: -538.561
Base-Backbone interact. energy: -1.740
local terms energy: -570.817846
where:
bonds (distance) C4'-P energy: -106.668
bonds (distance) P-C4' energy: -108.549
flat angles C4'-P-C4' energy: -123.547
flat angles P-C4'-P energy: -86.894
tors. eta vs tors. theta energy: -145.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1747.375056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.375056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.375056 (E_RNA)
where:
Base-Base interactions energy: -1216.459
where: short stacking energy: -498.444
Base-Backbone interact. energy: -2.020
local terms energy: -528.896938
where:
bonds (distance) C4'-P energy: -101.151
bonds (distance) P-C4' energy: -94.462
flat angles C4'-P-C4' energy: -115.340
flat angles P-C4'-P energy: -79.306
tors. eta vs tors. theta energy: -138.638
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: 4
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1647.750592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.750592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.750592 (E_RNA)
where:
Base-Base interactions energy: -1112.924
where: short stacking energy: -477.706
Base-Backbone interact. energy: -4.487
local terms energy: -530.339898
where:
bonds (distance) C4'-P energy: -100.400
bonds (distance) P-C4' energy: -112.159
flat angles C4'-P-C4' energy: -120.812
flat angles P-C4'-P energy: -71.748
tors. eta vs tors. theta energy: -125.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1551.583384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.583384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.583384 (E_RNA)
where:
Base-Base interactions energy: -1043.166
where: short stacking energy: -451.536
Base-Backbone interact. energy: -1.642
local terms energy: -506.774746
where:
bonds (distance) C4'-P energy: -93.578
bonds (distance) P-C4' energy: -104.172
flat angles C4'-P-C4' energy: -109.772
flat angles P-C4'-P energy: -77.062
tors. eta vs tors. theta energy: -122.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1453.124710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.124710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.124710 (E_RNA)
where:
Base-Base interactions energy: -951.298
where: short stacking energy: -420.553
Base-Backbone interact. energy: -1.249
local terms energy: -500.577577
where:
bonds (distance) C4'-P energy: -100.435
bonds (distance) P-C4' energy: -100.460
flat angles C4'-P-C4' energy: -105.668
flat angles P-C4'-P energy: -79.239
tors. eta vs tors. theta energy: -114.775
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: 266
Temperature: 1.150000
Total energy: -1353.394912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.394912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.394912 (E_RNA)
where:
Base-Base interactions energy: -917.378
where: short stacking energy: -392.651
Base-Backbone interact. energy: -0.870
local terms energy: -435.147463
where:
bonds (distance) C4'-P energy: -97.875
bonds (distance) P-C4' energy: -83.820
flat angles C4'-P-C4' energy: -90.833
flat angles P-C4'-P energy: -74.080
tors. eta vs tors. theta energy: -88.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1392.276394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.276394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.276394 (E_RNA)
where:
Base-Base interactions energy: -951.459
where: short stacking energy: -396.748
Base-Backbone interact. energy: 2.400
local terms energy: -443.217234
where:
bonds (distance) C4'-P energy: -86.036
bonds (distance) P-C4' energy: -99.726
flat angles C4'-P-C4' energy: -104.463
flat angles P-C4'-P energy: -54.231
tors. eta vs tors. theta energy: -98.762
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: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -956.978358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.978358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.978358 (E_RNA)
where:
Base-Base interactions energy: -568.730
where: short stacking energy: -271.792
Base-Backbone interact. energy: -0.752
local terms energy: -387.496154
where:
bonds (distance) C4'-P energy: -87.669
bonds (distance) P-C4' energy: -103.294
flat angles C4'-P-C4' energy: -99.780
flat angles P-C4'-P energy: -61.391
tors. eta vs tors. theta energy: -35.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -828.287770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.287770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.287770 (E_RNA)
where:
Base-Base interactions energy: -501.956
where: short stacking energy: -241.847
Base-Backbone interact. energy: 3.417
local terms energy: -329.748771
where:
bonds (distance) C4'-P energy: -82.320
bonds (distance) P-C4' energy: -92.484
flat angles C4'-P-C4' energy: -87.790
flat angles P-C4'-P energy: -39.429
tors. eta vs tors. theta energy: -27.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -467.133361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.133361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.133361 (E_RNA)
where:
Base-Base interactions energy: -188.007
where: short stacking energy: -139.783
Base-Backbone interact. energy: -1.815
local terms energy: -277.310999
where:
bonds (distance) C4'-P energy: -102.679
bonds (distance) P-C4' energy: -83.090
flat angles C4'-P-C4' energy: -65.365
flat angles P-C4'-P energy: -35.419
tors. eta vs tors. theta energy: 9.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1833.098872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.098872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.098872 (E_RNA)
where:
Base-Base interactions energy: -1265.096
where: short stacking energy: -541.570
Base-Backbone interact. energy: -1.319
local terms energy: -566.684542
where:
bonds (distance) C4'-P energy: -112.024
bonds (distance) P-C4' energy: -104.825
flat angles C4'-P-C4' energy: -127.275
flat angles P-C4'-P energy: -75.872
tors. eta vs tors. theta energy: -146.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1728.209537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.209537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.209537 (E_RNA)
where:
Base-Base interactions energy: -1168.469
where: short stacking energy: -514.122
Base-Backbone interact. energy: -2.635
local terms energy: -557.105018
where:
bonds (distance) C4'-P energy: -99.077
bonds (distance) P-C4' energy: -110.505
flat angles C4'-P-C4' energy: -125.203
flat angles P-C4'-P energy: -77.993
tors. eta vs tors. theta energy: -144.327
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: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1606.119329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.119329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.119329 (E_RNA)
where:
Base-Base interactions energy: -1082.414
where: short stacking energy: -462.527
Base-Backbone interact. energy: -0.791
local terms energy: -522.913575
where:
bonds (distance) C4'-P energy: -115.177
bonds (distance) P-C4' energy: -101.893
flat angles C4'-P-C4' energy: -116.697
flat angles P-C4'-P energy: -67.699
tors. eta vs tors. theta energy: -121.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1525.027344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.027344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.027344 (E_RNA)
where:
Base-Base interactions energy: -1063.522
where: short stacking energy: -455.483
Base-Backbone interact. energy: -0.974
local terms energy: -460.531371
where:
bonds (distance) C4'-P energy: -82.451
bonds (distance) P-C4' energy: -103.158
flat angles C4'-P-C4' energy: -100.117
flat angles P-C4'-P energy: -55.319
tors. eta vs tors. theta energy: -119.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1445.965680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.965680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.965680 (E_RNA)
where:
Base-Base interactions energy: -980.367
where: short stacking energy: -432.295
Base-Backbone interact. energy: 0.340
local terms energy: -465.938626
where:
bonds (distance) C4'-P energy: -81.207
bonds (distance) P-C4' energy: -101.894
flat angles C4'-P-C4' energy: -106.367
flat angles P-C4'-P energy: -64.286
tors. eta vs tors. theta energy: -112.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1411.891612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.891612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.891612 (E_RNA)
where:
Base-Base interactions energy: -962.746
where: short stacking energy: -405.669
Base-Backbone interact. energy: -1.149
local terms energy: -447.997154
where:
bonds (distance) C4'-P energy: -104.971
bonds (distance) P-C4' energy: -77.336
flat angles C4'-P-C4' energy: -98.104
flat angles P-C4'-P energy: -60.063
tors. eta vs tors. theta energy: -107.523
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: 5
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1304.620150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.620150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.620150 (E_RNA)
where:
Base-Base interactions energy: -872.425
where: short stacking energy: -365.407
Base-Backbone interact. energy: 0.545
local terms energy: -432.739661
where:
bonds (distance) C4'-P energy: -86.817
bonds (distance) P-C4' energy: -91.845
flat angles C4'-P-C4' energy: -105.982
flat angles P-C4'-P energy: -68.606
tors. eta vs tors. theta energy: -79.489
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: 8
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -996.670348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.670348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.670348 (E_RNA)
where:
Base-Base interactions energy: -570.940
where: short stacking energy: -252.988
Base-Backbone interact. energy: 0.384
local terms energy: -426.114831
where:
bonds (distance) C4'-P energy: -102.304
bonds (distance) P-C4' energy: -102.698
flat angles C4'-P-C4' energy: -107.135
flat angles P-C4'-P energy: -59.012
tors. eta vs tors. theta energy: -54.966
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: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -886.111896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.111896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.111896 (E_RNA)
where:
Base-Base interactions energy: -577.119
where: short stacking energy: -239.103
Base-Backbone interact. energy: 2.786
local terms energy: -311.779485
where:
bonds (distance) C4'-P energy: -92.283
bonds (distance) P-C4' energy: -81.151
flat angles C4'-P-C4' energy: -81.905
flat angles P-C4'-P energy: -37.612
tors. eta vs tors. theta energy: -18.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -443.343105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.343105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.343105 (E_RNA)
where:
Base-Base interactions energy: -146.225
where: short stacking energy: -124.553
Base-Backbone interact. energy: -1.166
local terms energy: -295.952219
where:
bonds (distance) C4'-P energy: -92.501
bonds (distance) P-C4' energy: -90.088
flat angles C4'-P-C4' energy: -86.486
flat angles P-C4'-P energy: -41.668
tors. eta vs tors. theta energy: 14.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1838.286831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.286831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.286831 (E_RNA)
where:
Base-Base interactions energy: -1254.378
where: short stacking energy: -519.075
Base-Backbone interact. energy: -4.469
local terms energy: -579.439657
where:
bonds (distance) C4'-P energy: -120.031
bonds (distance) P-C4' energy: -118.351
flat angles C4'-P-C4' energy: -124.548
flat angles P-C4'-P energy: -74.506
tors. eta vs tors. theta energy: -142.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1765.697664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.697664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.697664 (E_RNA)
where:
Base-Base interactions energy: -1205.631
where: short stacking energy: -510.008
Base-Backbone interact. energy: -4.978
local terms energy: -555.088887
where:
bonds (distance) C4'-P energy: -94.788
bonds (distance) P-C4' energy: -120.376
flat angles C4'-P-C4' energy: -120.335
flat angles P-C4'-P energy: -73.695
tors. eta vs tors. theta energy: -145.895
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: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1617.730448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.730448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.730448 (E_RNA)
where:
Base-Base interactions energy: -1106.183
where: short stacking energy: -479.489
Base-Backbone interact. energy: -3.823
local terms energy: -507.725190
where:
bonds (distance) C4'-P energy: -98.805
bonds (distance) P-C4' energy: -104.208
flat angles C4'-P-C4' energy: -106.584
flat angles P-C4'-P energy: -76.848
tors. eta vs tors. theta energy: -121.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1511.975068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.975068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.975068 (E_RNA)
where:
Base-Base interactions energy: -1012.811
where: short stacking energy: -444.441
Base-Backbone interact. energy: -1.905
local terms energy: -497.259501
where:
bonds (distance) C4'-P energy: -86.341
bonds (distance) P-C4' energy: -106.791
flat angles C4'-P-C4' energy: -111.192
flat angles P-C4'-P energy: -69.711
tors. eta vs tors. theta energy: -123.224
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: 6
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1433.150862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.150862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.150862 (E_RNA)
where:
Base-Base interactions energy: -956.726
where: short stacking energy: -390.855
Base-Backbone interact. energy: -1.455
local terms energy: -474.969914
where:
bonds (distance) C4'-P energy: -88.065
bonds (distance) P-C4' energy: -94.556
flat angles C4'-P-C4' energy: -104.031
flat angles P-C4'-P energy: -71.622
tors. eta vs tors. theta energy: -116.696
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: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1389.085330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.085330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.085330 (E_RNA)
where:
Base-Base interactions energy: -928.143
where: short stacking energy: -382.738
Base-Backbone interact. energy: -0.940
local terms energy: -460.001718
where:
bonds (distance) C4'-P energy: -99.415
bonds (distance) P-C4' energy: -102.888
flat angles C4'-P-C4' energy: -97.365
flat angles P-C4'-P energy: -70.038
tors. eta vs tors. theta energy: -90.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1253.682273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.682273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.682273 (E_RNA)
where:
Base-Base interactions energy: -842.336
where: short stacking energy: -358.293
Base-Backbone interact. energy: 1.783
local terms energy: -413.129386
where:
bonds (distance) C4'-P energy: -89.398
bonds (distance) P-C4' energy: -103.798
flat angles C4'-P-C4' energy: -92.419
flat angles P-C4'-P energy: -52.909
tors. eta vs tors. theta energy: -74.605
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: 8, replica: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1014.805958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.805958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.805958 (E_RNA)
where:
Base-Base interactions energy: -642.914
where: short stacking energy: -315.356
Base-Backbone interact. energy: 2.917
local terms energy: -374.808882
where:
bonds (distance) C4'-P energy: -81.758
bonds (distance) P-C4' energy: -92.210
flat angles C4'-P-C4' energy: -102.359
flat angles P-C4'-P energy: -44.957
tors. eta vs tors. theta energy: -53.525
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: 3
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -913.220404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.220404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.220404 (E_RNA)
where:
Base-Base interactions energy: -561.454
where: short stacking energy: -246.610
Base-Backbone interact. energy: 3.410
local terms energy: -355.175865
where:
bonds (distance) C4'-P energy: -88.824
bonds (distance) P-C4' energy: -71.527
flat angles C4'-P-C4' energy: -100.238
flat angles P-C4'-P energy: -61.840
tors. eta vs tors. theta energy: -32.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -482.613448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.613448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.613448 (E_RNA)
where:
Base-Base interactions energy: -189.674
where: short stacking energy: -157.512
Base-Backbone interact. energy: 4.932
local terms energy: -297.871980
where:
bonds (distance) C4'-P energy: -93.496
bonds (distance) P-C4' energy: -84.910
flat angles C4'-P-C4' energy: -83.852
flat angles P-C4'-P energy: -42.419
tors. eta vs tors. theta energy: 6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1864.472886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.472886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.472886 (E_RNA)
where:
Base-Base interactions energy: -1305.363
where: short stacking energy: -528.836
Base-Backbone interact. energy: -2.172
local terms energy: -556.937960
where:
bonds (distance) C4'-P energy: -107.092
bonds (distance) P-C4' energy: -108.964
flat angles C4'-P-C4' energy: -110.888
flat angles P-C4'-P energy: -78.946
tors. eta vs tors. theta energy: -151.048
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: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1750.296125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.296125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.296125 (E_RNA)
where:
Base-Base interactions energy: -1180.207
where: short stacking energy: -494.303
Base-Backbone interact. energy: -1.273
local terms energy: -568.816681
where:
bonds (distance) C4'-P energy: -108.722
bonds (distance) P-C4' energy: -105.405
flat angles C4'-P-C4' energy: -138.734
flat angles P-C4'-P energy: -80.254
tors. eta vs tors. theta energy: -135.702
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: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1675.292269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.292269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.292269 (E_RNA)
where:
Base-Base interactions energy: -1141.750
where: short stacking energy: -506.196
Base-Backbone interact. energy: -3.202
local terms energy: -530.340654
where:
bonds (distance) C4'-P energy: -95.004
bonds (distance) P-C4' energy: -114.312
flat angles C4'-P-C4' energy: -119.958
flat angles P-C4'-P energy: -76.841
tors. eta vs tors. theta energy: -124.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1580.998561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.998561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.998561 (E_RNA)
where:
Base-Base interactions energy: -1068.470
where: short stacking energy: -494.757
Base-Backbone interact. energy: 0.759
local terms energy: -513.287763
where:
bonds (distance) C4'-P energy: -94.060
bonds (distance) P-C4' energy: -100.049
flat angles C4'-P-C4' energy: -105.016
flat angles P-C4'-P energy: -78.033
tors. eta vs tors. theta energy: -136.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1464.739715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.739715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.739715 (E_RNA)
where:
Base-Base interactions energy: -969.395
where: short stacking energy: -429.381
Base-Backbone interact. energy: -1.352
local terms energy: -493.992692
where:
bonds (distance) C4'-P energy: -118.440
bonds (distance) P-C4' energy: -101.396
flat angles C4'-P-C4' energy: -98.695
flat angles P-C4'-P energy: -66.380
tors. eta vs tors. theta energy: -109.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1355.563568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.563568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.563568 (E_RNA)
where:
Base-Base interactions energy: -925.202
where: short stacking energy: -396.430
Base-Backbone interact. energy: -1.097
local terms energy: -429.264974
where:
bonds (distance) C4'-P energy: -96.290
bonds (distance) P-C4' energy: -87.813
flat angles C4'-P-C4' energy: -102.890
flat angles P-C4'-P energy: -56.533
tors. eta vs tors. theta energy: -85.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1298.597962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.597962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.597962 (E_RNA)
where:
Base-Base interactions energy: -875.107
where: short stacking energy: -345.466
Base-Backbone interact. energy: 1.168
local terms energy: -424.659524
where:
bonds (distance) C4'-P energy: -98.183
bonds (distance) P-C4' energy: -91.356
flat angles C4'-P-C4' energy: -93.199
flat angles P-C4'-P energy: -55.500
tors. eta vs tors. theta energy: -86.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1067.596944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.596944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.596944 (E_RNA)
where:
Base-Base interactions energy: -690.234
where: short stacking energy: -327.276
Base-Backbone interact. energy: 2.569
local terms energy: -379.931905
where:
bonds (distance) C4'-P energy: -96.090
bonds (distance) P-C4' energy: -96.769
flat angles C4'-P-C4' energy: -77.646
flat angles P-C4'-P energy: -39.228
tors. eta vs tors. theta energy: -70.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -860.570447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.570447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.570447 (E_RNA)
where:
Base-Base interactions energy: -510.756
where: short stacking energy: -269.356
Base-Backbone interact. energy: -0.078
local terms energy: -349.736728
where:
bonds (distance) C4'-P energy: -84.231
bonds (distance) P-C4' energy: -80.268
flat angles C4'-P-C4' energy: -89.316
flat angles P-C4'-P energy: -42.656
tors. eta vs tors. theta energy: -53.267
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: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -507.709706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.709706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.709706 (E_RNA)
where:
Base-Base interactions energy: -196.752
where: short stacking energy: -140.917
Base-Backbone interact. energy: 2.027
local terms energy: -312.984955
where:
bonds (distance) C4'-P energy: -93.708
bonds (distance) P-C4' energy: -105.305
flat angles C4'-P-C4' energy: -68.032
flat angles P-C4'-P energy: -45.273
tors. eta vs tors. theta energy: -0.668
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: 7
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1841.063881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.063881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.063881 (E_RNA)
where:
Base-Base interactions energy: -1257.143
where: short stacking energy: -540.798
Base-Backbone interact. energy: -1.439
local terms energy: -582.482204
where:
bonds (distance) C4'-P energy: -105.900
bonds (distance) P-C4' energy: -114.192
flat angles C4'-P-C4' energy: -132.795
flat angles P-C4'-P energy: -77.534
tors. eta vs tors. theta energy: -152.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1738.404642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.404642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.404642 (E_RNA)
where:
Base-Base interactions energy: -1183.486
where: short stacking energy: -511.144
Base-Backbone interact. energy: -2.948
local terms energy: -551.970698
where:
bonds (distance) C4'-P energy: -110.912
bonds (distance) P-C4' energy: -106.030
flat angles C4'-P-C4' energy: -120.929
flat angles P-C4'-P energy: -74.222
tors. eta vs tors. theta energy: -139.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1673.449055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.449055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.449055 (E_RNA)
where:
Base-Base interactions energy: -1135.332
where: short stacking energy: -492.978
Base-Backbone interact. energy: -1.496
local terms energy: -536.621565
where:
bonds (distance) C4'-P energy: -94.897
bonds (distance) P-C4' energy: -98.213
flat angles C4'-P-C4' energy: -125.565
flat angles P-C4'-P energy: -82.401
tors. eta vs tors. theta energy: -135.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1575.317863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.317863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.317863 (E_RNA)
where:
Base-Base interactions energy: -1041.142
where: short stacking energy: -446.359
Base-Backbone interact. energy: -0.011
local terms energy: -534.165603
where:
bonds (distance) C4'-P energy: -114.645
bonds (distance) P-C4' energy: -100.993
flat angles C4'-P-C4' energy: -120.146
flat angles P-C4'-P energy: -67.838
tors. eta vs tors. theta energy: -130.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1466.961783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.961783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.961783 (E_RNA)
where:
Base-Base interactions energy: -988.718
where: short stacking energy: -437.331
Base-Backbone interact. energy: -2.918
local terms energy: -475.325409
where:
bonds (distance) C4'-P energy: -76.138
bonds (distance) P-C4' energy: -99.010
flat angles C4'-P-C4' energy: -110.207
flat angles P-C4'-P energy: -79.654
tors. eta vs tors. theta energy: -110.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1398.424250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.424250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.424250 (E_RNA)
where:
Base-Base interactions energy: -940.536
where: short stacking energy: -395.516
Base-Backbone interact. energy: 2.781
local terms energy: -460.668612
where:
bonds (distance) C4'-P energy: -86.346
bonds (distance) P-C4' energy: -103.243
flat angles C4'-P-C4' energy: -100.848
flat angles P-C4'-P energy: -69.511
tors. eta vs tors. theta energy: -100.721
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: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1319.847145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.847145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.847145 (E_RNA)
where:
Base-Base interactions energy: -882.529
where: short stacking energy: -388.527
Base-Backbone interact. energy: -1.379
local terms energy: -435.939924
where:
bonds (distance) C4'-P energy: -97.336
bonds (distance) P-C4' energy: -88.978
flat angles C4'-P-C4' energy: -93.801
flat angles P-C4'-P energy: -66.070
tors. eta vs tors. theta energy: -89.754
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: 8, replica: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1011.066439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.066439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.066439 (E_RNA)
where:
Base-Base interactions energy: -647.645
where: short stacking energy: -296.618
Base-Backbone interact. energy: -1.246
local terms energy: -362.175399
where:
bonds (distance) C4'-P energy: -88.062
bonds (distance) P-C4' energy: -79.060
flat angles C4'-P-C4' energy: -88.584
flat angles P-C4'-P energy: -54.058
tors. eta vs tors. theta energy: -52.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -888.162456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.162456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.162456 (E_RNA)
where:
Base-Base interactions energy: -527.574
where: short stacking energy: -247.762
Base-Backbone interact. energy: -0.408
local terms energy: -360.180528
where:
bonds (distance) C4'-P energy: -95.274
bonds (distance) P-C4' energy: -82.468
flat angles C4'-P-C4' energy: -98.632
flat angles P-C4'-P energy: -59.687
tors. eta vs tors. theta energy: -24.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -530.445830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.445830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.445830 (E_RNA)
where:
Base-Base interactions energy: -218.639
where: short stacking energy: -151.600
Base-Backbone interact. energy: -1.021
local terms energy: -310.785927
where:
bonds (distance) C4'-P energy: -76.466
bonds (distance) P-C4' energy: -96.872
flat angles C4'-P-C4' energy: -93.041
flat angles P-C4'-P energy: -47.197
tors. eta vs tors. theta energy: 2.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1830.628948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.628948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.628948 (E_RNA)
where:
Base-Base interactions energy: -1273.022
where: short stacking energy: -534.734
Base-Backbone interact. energy: -1.560
local terms energy: -556.046599
where:
bonds (distance) C4'-P energy: -103.311
bonds (distance) P-C4' energy: -98.730
flat angles C4'-P-C4' energy: -118.699
flat angles P-C4'-P energy: -84.065
tors. eta vs tors. theta energy: -151.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1746.787169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.787169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.787169 (E_RNA)
where:
Base-Base interactions energy: -1190.685
where: short stacking energy: -517.690
Base-Backbone interact. energy: -0.482
local terms energy: -555.620401
where:
bonds (distance) C4'-P energy: -121.649
bonds (distance) P-C4' energy: -101.782
flat angles C4'-P-C4' energy: -115.410
flat angles P-C4'-P energy: -81.289
tors. eta vs tors. theta energy: -135.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1708.158437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.158437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.158437 (E_RNA)
where:
Base-Base interactions energy: -1168.058
where: short stacking energy: -500.317
Base-Backbone interact. energy: -3.125
local terms energy: -536.974868
where:
bonds (distance) C4'-P energy: -105.021
bonds (distance) P-C4' energy: -113.771
flat angles C4'-P-C4' energy: -109.485
flat angles P-C4'-P energy: -72.353
tors. eta vs tors. theta energy: -136.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1598.389718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.389718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.389718 (E_RNA)
where:
Base-Base interactions energy: -1042.816
where: short stacking energy: -485.236
Base-Backbone interact. energy: -0.577
local terms energy: -554.996441
where:
bonds (distance) C4'-P energy: -102.071
bonds (distance) P-C4' energy: -117.178
flat angles C4'-P-C4' energy: -116.374
flat angles P-C4'-P energy: -77.844
tors. eta vs tors. theta energy: -141.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1423.819864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.819864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.819864 (E_RNA)
where:
Base-Base interactions energy: -933.896
where: short stacking energy: -396.933
Base-Backbone interact. energy: -0.143
local terms energy: -489.780806
where:
bonds (distance) C4'-P energy: -90.351
bonds (distance) P-C4' energy: -100.618
flat angles C4'-P-C4' energy: -117.212
flat angles P-C4'-P energy: -76.555
tors. eta vs tors. theta energy: -105.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1366.346592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.346592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.346592 (E_RNA)
where:
Base-Base interactions energy: -891.192
where: short stacking energy: -373.302
Base-Backbone interact. energy: 0.010
local terms energy: -475.165229
where:
bonds (distance) C4'-P energy: -108.565
bonds (distance) P-C4' energy: -97.942
flat angles C4'-P-C4' energy: -110.180
flat angles P-C4'-P energy: -73.752
tors. eta vs tors. theta energy: -84.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1370.030299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.030299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.030299 (E_RNA)
where:
Base-Base interactions energy: -885.132
where: short stacking energy: -403.942
Base-Backbone interact. energy: -3.823
local terms energy: -481.075223
where:
bonds (distance) C4'-P energy: -107.608
bonds (distance) P-C4' energy: -93.324
flat angles C4'-P-C4' energy: -109.259
flat angles P-C4'-P energy: -57.289
tors. eta vs tors. theta energy: -113.595
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: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1036.818324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.818324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.818324 (E_RNA)
where:
Base-Base interactions energy: -640.780
where: short stacking energy: -289.332
Base-Backbone interact. energy: 3.843
local terms energy: -399.881118
where:
bonds (distance) C4'-P energy: -90.267
bonds (distance) P-C4' energy: -104.520
flat angles C4'-P-C4' energy: -81.957
flat angles P-C4'-P energy: -70.745
tors. eta vs tors. theta energy: -52.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -845.326087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.326087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.326087 (E_RNA)
where:
Base-Base interactions energy: -495.608
where: short stacking energy: -246.309
Base-Backbone interact. energy: -2.359
local terms energy: -347.359227
where:
bonds (distance) C4'-P energy: -94.535
bonds (distance) P-C4' energy: -96.102
flat angles C4'-P-C4' energy: -84.984
flat angles P-C4'-P energy: -40.659
tors. eta vs tors. theta energy: -31.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -439.569304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.569304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.569304 (E_RNA)
where:
Base-Base interactions energy: -192.014
where: short stacking energy: -119.937
Base-Backbone interact. energy: 5.771
local terms energy: -253.326143
where:
bonds (distance) C4'-P energy: -88.666
bonds (distance) P-C4' energy: -69.571
flat angles C4'-P-C4' energy: -66.321
flat angles P-C4'-P energy: -56.837
tors. eta vs tors. theta energy: 28.069
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: 7
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1823.728497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.728497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.728497 (E_RNA)
where:
Base-Base interactions energy: -1251.581
where: short stacking energy: -530.264
Base-Backbone interact. energy: -3.344
local terms energy: -568.803032
where:
bonds (distance) C4'-P energy: -108.449
bonds (distance) P-C4' energy: -113.822
flat angles C4'-P-C4' energy: -113.021
flat angles P-C4'-P energy: -76.547
tors. eta vs tors. theta energy: -156.964
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: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1750.635027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.635027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.635027 (E_RNA)
where:
Base-Base interactions energy: -1191.429
where: short stacking energy: -506.078
Base-Backbone interact. energy: -3.402
local terms energy: -555.803270
where:
bonds (distance) C4'-P energy: -100.701
bonds (distance) P-C4' energy: -107.924
flat angles C4'-P-C4' energy: -123.320
flat angles P-C4'-P energy: -77.488
tors. eta vs tors. theta energy: -146.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1658.718486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.718486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.718486 (E_RNA)
where:
Base-Base interactions energy: -1147.465
where: short stacking energy: -502.138
Base-Backbone interact. energy: -0.878
local terms energy: -510.375452
where:
bonds (distance) C4'-P energy: -93.256
bonds (distance) P-C4' energy: -107.273
flat angles C4'-P-C4' energy: -103.692
flat angles P-C4'-P energy: -67.029
tors. eta vs tors. theta energy: -139.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1578.764173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.764173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.764173 (E_RNA)
where:
Base-Base interactions energy: -1066.595
where: short stacking energy: -465.297
Base-Backbone interact. energy: 1.182
local terms energy: -513.351612
where:
bonds (distance) C4'-P energy: -92.121
bonds (distance) P-C4' energy: -104.552
flat angles C4'-P-C4' energy: -104.552
flat angles P-C4'-P energy: -78.863
tors. eta vs tors. theta energy: -133.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1465.206360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.206360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.206360 (E_RNA)
where:
Base-Base interactions energy: -996.684
where: short stacking energy: -428.366
Base-Backbone interact. energy: 0.221
local terms energy: -468.742969
where:
bonds (distance) C4'-P energy: -79.624
bonds (distance) P-C4' energy: -92.586
flat angles C4'-P-C4' energy: -112.819
flat angles P-C4'-P energy: -71.818
tors. eta vs tors. theta energy: -111.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1369.796501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.796501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.796501 (E_RNA)
where:
Base-Base interactions energy: -913.591
where: short stacking energy: -381.173
Base-Backbone interact. energy: -0.789
local terms energy: -455.417210
where:
bonds (distance) C4'-P energy: -87.405
bonds (distance) P-C4' energy: -96.803
flat angles C4'-P-C4' energy: -120.651
flat angles P-C4'-P energy: -65.228
tors. eta vs tors. theta energy: -85.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1355.637641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.637641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.637641 (E_RNA)
where:
Base-Base interactions energy: -917.119
where: short stacking energy: -385.084
Base-Backbone interact. energy: -0.940
local terms energy: -437.578304
where:
bonds (distance) C4'-P energy: -69.999
bonds (distance) P-C4' energy: -75.364
flat angles C4'-P-C4' energy: -113.345
flat angles P-C4'-P energy: -75.276
tors. eta vs tors. theta energy: -103.596
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: 8
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1064.041265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.041265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.041265 (E_RNA)
where:
Base-Base interactions energy: -655.931
where: short stacking energy: -295.337
Base-Backbone interact. energy: 0.431
local terms energy: -408.541626
where:
bonds (distance) C4'-P energy: -100.780
bonds (distance) P-C4' energy: -93.805
flat angles C4'-P-C4' energy: -83.767
flat angles P-C4'-P energy: -62.209
tors. eta vs tors. theta energy: -67.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -882.924439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.924439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.924439 (E_RNA)
where:
Base-Base interactions energy: -516.429
where: short stacking energy: -259.690
Base-Backbone interact. energy: -3.190
local terms energy: -363.305278
where:
bonds (distance) C4'-P energy: -97.828
bonds (distance) P-C4' energy: -80.410
flat angles C4'-P-C4' energy: -84.218
flat angles P-C4'-P energy: -64.895
tors. eta vs tors. theta energy: -35.954
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: 272
Temperature: 1.350000
Total energy: -456.176748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.176748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.176748 (E_RNA)
where:
Base-Base interactions energy: -184.847
where: short stacking energy: -109.566
Base-Backbone interact. energy: 2.848
local terms energy: -274.177471
where:
bonds (distance) C4'-P energy: -85.756
bonds (distance) P-C4' energy: -91.649
flat angles C4'-P-C4' energy: -68.680
flat angles P-C4'-P energy: -45.916
tors. eta vs tors. theta energy: 17.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1813.889580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.889580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.889580 (E_RNA)
where:
Base-Base interactions energy: -1230.792
where: short stacking energy: -536.400
Base-Backbone interact. energy: -3.766
local terms energy: -579.331522
where:
bonds (distance) C4'-P energy: -95.693
bonds (distance) P-C4' energy: -110.635
flat angles C4'-P-C4' energy: -127.161
flat angles P-C4'-P energy: -90.414
tors. eta vs tors. theta energy: -155.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1745.539464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.539464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.539464 (E_RNA)
where:
Base-Base interactions energy: -1210.236
where: short stacking energy: -501.455
Base-Backbone interact. energy: 1.262
local terms energy: -536.565619
where:
bonds (distance) C4'-P energy: -98.949
bonds (distance) P-C4' energy: -99.806
flat angles C4'-P-C4' energy: -116.556
flat angles P-C4'-P energy: -86.378
tors. eta vs tors. theta energy: -134.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1658.920177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.920177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.920177 (E_RNA)
where:
Base-Base interactions energy: -1120.529
where: short stacking energy: -483.753
Base-Backbone interact. energy: -1.542
local terms energy: -536.849291
where:
bonds (distance) C4'-P energy: -99.344
bonds (distance) P-C4' energy: -101.721
flat angles C4'-P-C4' energy: -120.739
flat angles P-C4'-P energy: -85.529
tors. eta vs tors. theta energy: -129.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1610.900086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.900086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.900086 (E_RNA)
where:
Base-Base interactions energy: -1086.225
where: short stacking energy: -477.274
Base-Backbone interact. energy: -0.441
local terms energy: -524.233937
where:
bonds (distance) C4'-P energy: -97.714
bonds (distance) P-C4' energy: -99.820
flat angles C4'-P-C4' energy: -108.915
flat angles P-C4'-P energy: -78.596
tors. eta vs tors. theta energy: -139.190
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: 5, replica: 5
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1484.990722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.990722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.990722 (E_RNA)
where:
Base-Base interactions energy: -1006.072
where: short stacking energy: -448.068
Base-Backbone interact. energy: 2.597
local terms energy: -481.516181
where:
bonds (distance) C4'-P energy: -97.120
bonds (distance) P-C4' energy: -101.599
flat angles C4'-P-C4' energy: -98.746
flat angles P-C4'-P energy: -73.690
tors. eta vs tors. theta energy: -110.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1415.601200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.601200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.601200 (E_RNA)
where:
Base-Base interactions energy: -952.775
where: short stacking energy: -405.736
Base-Backbone interact. energy: 3.962
local terms energy: -466.788186
where:
bonds (distance) C4'-P energy: -95.032
bonds (distance) P-C4' energy: -90.674
flat angles C4'-P-C4' energy: -110.620
flat angles P-C4'-P energy: -71.724
tors. eta vs tors. theta energy: -98.738
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: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1353.314680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.314680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.314680 (E_RNA)
where:
Base-Base interactions energy: -922.867
where: short stacking energy: -399.900
Base-Backbone interact. energy: -1.711
local terms energy: -428.736627
where:
bonds (distance) C4'-P energy: -83.071
bonds (distance) P-C4' energy: -86.633
flat angles C4'-P-C4' energy: -88.075
flat angles P-C4'-P energy: -69.058
tors. eta vs tors. theta energy: -101.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1050.763788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.763788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.763788 (E_RNA)
where:
Base-Base interactions energy: -676.147
where: short stacking energy: -280.839
Base-Backbone interact. energy: 1.495
local terms energy: -376.111097
where:
bonds (distance) C4'-P energy: -84.464
bonds (distance) P-C4' energy: -81.673
flat angles C4'-P-C4' energy: -96.543
flat angles P-C4'-P energy: -56.950
tors. eta vs tors. theta energy: -56.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -835.198715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.198715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.198715 (E_RNA)
where:
Base-Base interactions energy: -469.014
where: short stacking energy: -231.960
Base-Backbone interact. energy: 9.380
local terms energy: -375.564294
where:
bonds (distance) C4'-P energy: -95.759
bonds (distance) P-C4' energy: -101.306
flat angles C4'-P-C4' energy: -70.202
flat angles P-C4'-P energy: -60.585
tors. eta vs tors. theta energy: -47.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -423.977770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.977770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.977770 (E_RNA)
where:
Base-Base interactions energy: -146.500
where: short stacking energy: -122.652
Base-Backbone interact. energy: 6.041
local terms energy: -283.518996
where:
bonds (distance) C4'-P energy: -69.740
bonds (distance) P-C4' energy: -100.167
flat angles C4'-P-C4' energy: -95.508
flat angles P-C4'-P energy: -35.922
tors. eta vs tors. theta energy: 17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1794.251088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.251088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.251088 (E_RNA)
where:
Base-Base interactions energy: -1228.037
where: short stacking energy: -507.069
Base-Backbone interact. energy: 0.033
local terms energy: -566.246501
where:
bonds (distance) C4'-P energy: -104.348
bonds (distance) P-C4' energy: -111.109
flat angles C4'-P-C4' energy: -121.934
flat angles P-C4'-P energy: -69.675
tors. eta vs tors. theta energy: -159.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1758.909361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.909361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.909361 (E_RNA)
where:
Base-Base interactions energy: -1201.817
where: short stacking energy: -510.608
Base-Backbone interact. energy: -2.115
local terms energy: -554.976772
where:
bonds (distance) C4'-P energy: -117.383
bonds (distance) P-C4' energy: -101.854
flat angles C4'-P-C4' energy: -118.150
flat angles P-C4'-P energy: -77.696
tors. eta vs tors. theta energy: -139.893
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: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1634.377545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.377545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.377545 (E_RNA)
where:
Base-Base interactions energy: -1122.635
where: short stacking energy: -492.638
Base-Backbone interact. energy: -3.337
local terms energy: -508.405463
where:
bonds (distance) C4'-P energy: -91.628
bonds (distance) P-C4' energy: -87.196
flat angles C4'-P-C4' energy: -116.438
flat angles P-C4'-P energy: -90.225
tors. eta vs tors. theta energy: -122.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1550.106867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.106867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.106867 (E_RNA)
where:
Base-Base interactions energy: -1046.074
where: short stacking energy: -460.299
Base-Backbone interact. energy: -1.149
local terms energy: -502.883589
where:
bonds (distance) C4'-P energy: -103.707
bonds (distance) P-C4' energy: -95.571
flat angles C4'-P-C4' energy: -115.205
flat angles P-C4'-P energy: -64.920
tors. eta vs tors. theta energy: -123.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1505.268687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.268687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.268687 (E_RNA)
where:
Base-Base interactions energy: -1014.173
where: short stacking energy: -448.271
Base-Backbone interact. energy: -0.657
local terms energy: -490.439560
where:
bonds (distance) C4'-P energy: -101.213
bonds (distance) P-C4' energy: -88.217
flat angles C4'-P-C4' energy: -105.432
flat angles P-C4'-P energy: -66.691
tors. eta vs tors. theta energy: -128.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1388.730250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.730250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.730250 (E_RNA)
where:
Base-Base interactions energy: -941.165
where: short stacking energy: -420.901
Base-Backbone interact. energy: -0.631
local terms energy: -446.934223
where:
bonds (distance) C4'-P energy: -78.972
bonds (distance) P-C4' energy: -110.111
flat angles C4'-P-C4' energy: -92.308
flat angles P-C4'-P energy: -58.798
tors. eta vs tors. theta energy: -106.745
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: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1355.752468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.752468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.752468 (E_RNA)
where:
Base-Base interactions energy: -901.691
where: short stacking energy: -395.147
Base-Backbone interact. energy: 0.666
local terms energy: -454.727964
where:
bonds (distance) C4'-P energy: -103.941
bonds (distance) P-C4' energy: -102.029
flat angles C4'-P-C4' energy: -101.450
flat angles P-C4'-P energy: -59.342
tors. eta vs tors. theta energy: -87.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1006.598234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.598234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.598234 (E_RNA)
where:
Base-Base interactions energy: -622.805
where: short stacking energy: -280.122
Base-Backbone interact. energy: -2.431
local terms energy: -381.362037
where:
bonds (distance) C4'-P energy: -85.678
bonds (distance) P-C4' energy: -90.189
flat angles C4'-P-C4' energy: -94.099
flat angles P-C4'-P energy: -54.443
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: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -825.586318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.586318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.586318 (E_RNA)
where:
Base-Base interactions energy: -503.573
where: short stacking energy: -241.081
Base-Backbone interact. energy: 1.120
local terms energy: -323.134206
where:
bonds (distance) C4'-P energy: -76.786
bonds (distance) P-C4' energy: -94.979
flat angles C4'-P-C4' energy: -91.824
flat angles P-C4'-P energy: -34.333
tors. eta vs tors. theta energy: -25.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -412.538531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.538531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.538531 (E_RNA)
where:
Base-Base interactions energy: -134.567
where: short stacking energy: -94.807
Base-Backbone interact. energy: -2.349
local terms energy: -275.621905
where:
bonds (distance) C4'-P energy: -76.621
bonds (distance) P-C4' energy: -85.496
flat angles C4'-P-C4' energy: -81.538
flat angles P-C4'-P energy: -60.749
tors. eta vs tors. theta energy: 28.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1831.779863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.779863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.779863 (E_RNA)
where:
Base-Base interactions energy: -1253.632
where: short stacking energy: -524.934
Base-Backbone interact. energy: -5.824
local terms energy: -572.324166
where:
bonds (distance) C4'-P energy: -108.158
bonds (distance) P-C4' energy: -110.810
flat angles C4'-P-C4' energy: -120.429
flat angles P-C4'-P energy: -83.938
tors. eta vs tors. theta energy: -148.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1761.669841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.669841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.669841 (E_RNA)
where:
Base-Base interactions energy: -1245.886
where: short stacking energy: -522.957
Base-Backbone interact. energy: -1.161
local terms energy: -514.623013
where:
bonds (distance) C4'-P energy: -108.247
bonds (distance) P-C4' energy: -99.565
flat angles C4'-P-C4' energy: -108.843
flat angles P-C4'-P energy: -62.532
tors. eta vs tors. theta energy: -135.436
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: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1626.827580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.827580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.827580 (E_RNA)
where:
Base-Base interactions energy: -1122.338
where: short stacking energy: -477.157
Base-Backbone interact. energy: -2.447
local terms energy: -502.042811
where:
bonds (distance) C4'-P energy: -91.459
bonds (distance) P-C4' energy: -109.981
flat angles C4'-P-C4' energy: -119.743
flat angles P-C4'-P energy: -65.766
tors. eta vs tors. theta energy: -115.094
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: 275
Temperature: 1.050000
Total energy: -1578.767714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.767714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.767714 (E_RNA)
where:
Base-Base interactions energy: -1037.826
where: short stacking energy: -471.709
Base-Backbone interact. energy: -3.469
local terms energy: -537.472806
where:
bonds (distance) C4'-P energy: -93.644
bonds (distance) P-C4' energy: -94.556
flat angles C4'-P-C4' energy: -119.298
flat angles P-C4'-P energy: -87.265
tors. eta vs tors. theta energy: -142.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1478.093321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.093321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.093321 (E_RNA)
where:
Base-Base interactions energy: -978.141
where: short stacking energy: -428.158
Base-Backbone interact. energy: -2.486
local terms energy: -497.466657
where:
bonds (distance) C4'-P energy: -98.335
bonds (distance) P-C4' energy: -107.618
flat angles C4'-P-C4' energy: -107.401
flat angles P-C4'-P energy: -74.407
tors. eta vs tors. theta energy: -109.706
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: 6
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1430.962147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.962147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.962147 (E_RNA)
where:
Base-Base interactions energy: -960.430
where: short stacking energy: -414.395
Base-Backbone interact. energy: -1.560
local terms energy: -468.972736
where:
bonds (distance) C4'-P energy: -101.046
bonds (distance) P-C4' energy: -94.856
flat angles C4'-P-C4' energy: -89.933
flat angles P-C4'-P energy: -85.769
tors. eta vs tors. theta energy: -97.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1379.470582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.470582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.470582 (E_RNA)
where:
Base-Base interactions energy: -909.346
where: short stacking energy: -390.051
Base-Backbone interact. energy: -1.044
local terms energy: -469.081445
where:
bonds (distance) C4'-P energy: -95.104
bonds (distance) P-C4' energy: -105.929
flat angles C4'-P-C4' energy: -88.161
flat angles P-C4'-P energy: -75.807
tors. eta vs tors. theta energy: -104.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -990.090639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.090639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.090639 (E_RNA)
where:
Base-Base interactions energy: -625.606
where: short stacking energy: -283.277
Base-Backbone interact. energy: -0.940
local terms energy: -363.545003
where:
bonds (distance) C4'-P energy: -86.856
bonds (distance) P-C4' energy: -82.477
flat angles C4'-P-C4' energy: -81.842
flat angles P-C4'-P energy: -56.032
tors. eta vs tors. theta energy: -56.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -858.986386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.986386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.986386 (E_RNA)
where:
Base-Base interactions energy: -505.878
where: short stacking energy: -251.005
Base-Backbone interact. energy: 3.749
local terms energy: -356.858017
where:
bonds (distance) C4'-P energy: -100.419
bonds (distance) P-C4' energy: -89.656
flat angles C4'-P-C4' energy: -77.790
flat angles P-C4'-P energy: -54.337
tors. eta vs tors. theta energy: -34.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -428.643654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.643654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.643654 (E_RNA)
where:
Base-Base interactions energy: -178.460
where: short stacking energy: -136.280
Base-Backbone interact. energy: 0.385
local terms energy: -250.568703
where:
bonds (distance) C4'-P energy: -79.496
bonds (distance) P-C4' energy: -91.860
flat angles C4'-P-C4' energy: -73.604
flat angles P-C4'-P energy: -27.963
tors. eta vs tors. theta energy: 22.354
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: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1858.423656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.423656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.423656 (E_RNA)
where:
Base-Base interactions energy: -1301.698
where: short stacking energy: -511.534
Base-Backbone interact. energy: -6.436
local terms energy: -550.290557
where:
bonds (distance) C4'-P energy: -116.304
bonds (distance) P-C4' energy: -95.189
flat angles C4'-P-C4' energy: -113.859
flat angles P-C4'-P energy: -73.957
tors. eta vs tors. theta energy: -150.982
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: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1776.817081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.817081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.817081 (E_RNA)
where:
Base-Base interactions energy: -1231.200
where: short stacking energy: -517.271
Base-Backbone interact. energy: -1.826
local terms energy: -543.791301
where:
bonds (distance) C4'-P energy: -98.009
bonds (distance) P-C4' energy: -95.653
flat angles C4'-P-C4' energy: -109.040
flat angles P-C4'-P energy: -90.808
tors. eta vs tors. theta energy: -150.282
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: 276
Temperature: 1.000000
Total energy: -1674.252323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.252323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.252323 (E_RNA)
where:
Base-Base interactions energy: -1157.278
where: short stacking energy: -483.108
Base-Backbone interact. energy: 2.836
local terms energy: -519.810819
where:
bonds (distance) C4'-P energy: -105.891
bonds (distance) P-C4' energy: -108.662
flat angles C4'-P-C4' energy: -111.501
flat angles P-C4'-P energy: -65.283
tors. eta vs tors. theta energy: -128.475
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: 2
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1565.484206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.484206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.484206 (E_RNA)
where:
Base-Base interactions energy: -1041.307
where: short stacking energy: -461.345
Base-Backbone interact. energy: -0.934
local terms energy: -523.243372
where:
bonds (distance) C4'-P energy: -109.591
bonds (distance) P-C4' energy: -105.068
flat angles C4'-P-C4' energy: -116.419
flat angles P-C4'-P energy: -60.847
tors. eta vs tors. theta energy: -131.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1532.288860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.288860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.288860 (E_RNA)
where:
Base-Base interactions energy: -1014.481
where: short stacking energy: -428.231
Base-Backbone interact. energy: -1.505
local terms energy: -516.302976
where:
bonds (distance) C4'-P energy: -97.698
bonds (distance) P-C4' energy: -109.955
flat angles C4'-P-C4' energy: -113.471
flat angles P-C4'-P energy: -66.156
tors. eta vs tors. theta energy: -129.023
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: 6
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1375.009672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.009672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.009672 (E_RNA)
where:
Base-Base interactions energy: -928.723
where: short stacking energy: -390.347
Base-Backbone interact. energy: -0.916
local terms energy: -445.370243
where:
bonds (distance) C4'-P energy: -96.494
bonds (distance) P-C4' energy: -81.538
flat angles C4'-P-C4' energy: -103.295
flat angles P-C4'-P energy: -66.531
tors. eta vs tors. theta energy: -97.512
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: 9
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1308.113766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.113766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.113766 (E_RNA)
where:
Base-Base interactions energy: -886.129
where: short stacking energy: -346.591
Base-Backbone interact. energy: 1.862
local terms energy: -423.846231
where:
bonds (distance) C4'-P energy: -95.620
bonds (distance) P-C4' energy: -89.034
flat angles C4'-P-C4' energy: -102.902
flat angles P-C4'-P energy: -54.092
tors. eta vs tors. theta energy: -82.198
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: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1005.378457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.378457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.378457 (E_RNA)
where:
Base-Base interactions energy: -606.895
where: short stacking energy: -281.515
Base-Backbone interact. energy: -0.622
local terms energy: -397.861398
where:
bonds (distance) C4'-P energy: -96.644
bonds (distance) P-C4' energy: -92.647
flat angles C4'-P-C4' energy: -99.167
flat angles P-C4'-P energy: -56.429
tors. eta vs tors. theta energy: -52.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -864.961719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.961719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.961719 (E_RNA)
where:
Base-Base interactions energy: -509.387
where: short stacking energy: -236.482
Base-Backbone interact. energy: -3.005
local terms energy: -352.570276
where:
bonds (distance) C4'-P energy: -102.785
bonds (distance) P-C4' energy: -97.092
flat angles C4'-P-C4' energy: -74.642
flat angles P-C4'-P energy: -49.389
tors. eta vs tors. theta energy: -28.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -435.789502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.789502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.789502 (E_RNA)
where:
Base-Base interactions energy: -170.665
where: short stacking energy: -143.424
Base-Backbone interact. energy: 0.641
local terms energy: -265.765503
where:
bonds (distance) C4'-P energy: -78.369
bonds (distance) P-C4' energy: -76.745
flat angles C4'-P-C4' energy: -76.358
flat angles P-C4'-P energy: -50.463
tors. eta vs tors. theta energy: 16.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1853.014560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.014560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.014560 (E_RNA)
where:
Base-Base interactions energy: -1290.900
where: short stacking energy: -534.088
Base-Backbone interact. energy: -1.187
local terms energy: -560.928035
where:
bonds (distance) C4'-P energy: -107.363
bonds (distance) P-C4' energy: -116.408
flat angles C4'-P-C4' energy: -118.941
flat angles P-C4'-P energy: -68.862
tors. eta vs tors. theta energy: -149.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1790.396599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.396599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.396599 (E_RNA)
where:
Base-Base interactions energy: -1193.352
where: short stacking energy: -500.150
Base-Backbone interact. energy: -3.328
local terms energy: -593.716556
where:
bonds (distance) C4'-P energy: -117.610
bonds (distance) P-C4' energy: -118.317
flat angles C4'-P-C4' energy: -123.329
flat angles P-C4'-P energy: -89.448
tors. eta vs tors. theta energy: -145.012
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: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1670.232133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.232133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.232133 (E_RNA)
where:
Base-Base interactions energy: -1144.523
where: short stacking energy: -501.236
Base-Backbone interact. energy: -0.714
local terms energy: -524.996073
where:
bonds (distance) C4'-P energy: -86.316
bonds (distance) P-C4' energy: -109.382
flat angles C4'-P-C4' energy: -114.388
flat angles P-C4'-P energy: -81.219
tors. eta vs tors. theta energy: -133.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1577.992482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.992482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.992482 (E_RNA)
where:
Base-Base interactions energy: -1076.203
where: short stacking energy: -486.971
Base-Backbone interact. energy: -3.460
local terms energy: -498.329602
where:
bonds (distance) C4'-P energy: -101.181
bonds (distance) P-C4' energy: -93.114
flat angles C4'-P-C4' energy: -113.649
flat angles P-C4'-P energy: -61.107
tors. eta vs tors. theta energy: -129.279
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: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1516.242955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.242955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.242955 (E_RNA)
where:
Base-Base interactions energy: -1005.117
where: short stacking energy: -460.877
Base-Backbone interact. energy: -1.314
local terms energy: -509.811601
where:
bonds (distance) C4'-P energy: -91.811
bonds (distance) P-C4' energy: -103.733
flat angles C4'-P-C4' energy: -107.571
flat angles P-C4'-P energy: -74.226
tors. eta vs tors. theta energy: -132.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1366.201586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.201586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.201586 (E_RNA)
where:
Base-Base interactions energy: -910.867
where: short stacking energy: -402.956
Base-Backbone interact. energy: -0.157
local terms energy: -455.176677
where:
bonds (distance) C4'-P energy: -91.753
bonds (distance) P-C4' energy: -86.059
flat angles C4'-P-C4' energy: -98.202
flat angles P-C4'-P energy: -71.659
tors. eta vs tors. theta energy: -107.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1286.850132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.850132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.850132 (E_RNA)
where:
Base-Base interactions energy: -831.691
where: short stacking energy: -344.429
Base-Backbone interact. energy: -2.416
local terms energy: -452.743115
where:
bonds (distance) C4'-P energy: -111.340
bonds (distance) P-C4' energy: -87.203
flat angles C4'-P-C4' energy: -93.010
flat angles P-C4'-P energy: -72.833
tors. eta vs tors. theta energy: -88.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -976.386599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.386599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.386599 (E_RNA)
where:
Base-Base interactions energy: -581.191
where: short stacking energy: -246.248
Base-Backbone interact. energy: 4.885
local terms energy: -400.081417
where:
bonds (distance) C4'-P energy: -96.002
bonds (distance) P-C4' energy: -95.312
flat angles C4'-P-C4' energy: -101.229
flat angles P-C4'-P energy: -69.769
tors. eta vs tors. theta energy: -37.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -884.094115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.094115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.094115 (E_RNA)
where:
Base-Base interactions energy: -527.278
where: short stacking energy: -266.718
Base-Backbone interact. energy: 3.491
local terms energy: -360.307199
where:
bonds (distance) C4'-P energy: -81.805
bonds (distance) P-C4' energy: -89.998
flat angles C4'-P-C4' energy: -73.310
flat angles P-C4'-P energy: -69.464
tors. eta vs tors. theta energy: -45.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -451.540815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.540815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.540815 (E_RNA)
where:
Base-Base interactions energy: -183.457
where: short stacking energy: -167.831
Base-Backbone interact. energy: 8.115
local terms energy: -276.198891
where:
bonds (distance) C4'-P energy: -83.843
bonds (distance) P-C4' energy: -89.261
flat angles C4'-P-C4' energy: -54.102
flat angles P-C4'-P energy: -32.544
tors. eta vs tors. theta energy: -16.448
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: 7
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1873.878394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.878394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.878394 (E_RNA)
where:
Base-Base interactions energy: -1305.500
where: short stacking energy: -564.876
Base-Backbone interact. energy: -5.973
local terms energy: -562.404935
where:
bonds (distance) C4'-P energy: -100.696
bonds (distance) P-C4' energy: -113.498
flat angles C4'-P-C4' energy: -122.934
flat angles P-C4'-P energy: -75.494
tors. eta vs tors. theta energy: -149.783
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: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1771.326308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.326308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.326308 (E_RNA)
where:
Base-Base interactions energy: -1219.662
where: short stacking energy: -512.550
Base-Backbone interact. energy: -3.462
local terms energy: -548.202096
where:
bonds (distance) C4'-P energy: -96.177
bonds (distance) P-C4' energy: -97.942
flat angles C4'-P-C4' energy: -110.163
flat angles P-C4'-P energy: -90.109
tors. eta vs tors. theta energy: -153.811
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: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1624.419164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.419164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.419164 (E_RNA)
where:
Base-Base interactions energy: -1099.693
where: short stacking energy: -500.650
Base-Backbone interact. energy: 3.450
local terms energy: -528.176259
where:
bonds (distance) C4'-P energy: -110.739
bonds (distance) P-C4' energy: -103.342
flat angles C4'-P-C4' energy: -102.586
flat angles P-C4'-P energy: -77.644
tors. eta vs tors. theta energy: -133.866
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: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1543.854772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.854772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.854772 (E_RNA)
where:
Base-Base interactions energy: -1036.124
where: short stacking energy: -451.996
Base-Backbone interact. energy: -0.774
local terms energy: -506.957114
where:
bonds (distance) C4'-P energy: -91.106
bonds (distance) P-C4' energy: -103.332
flat angles C4'-P-C4' energy: -114.264
flat angles P-C4'-P energy: -62.603
tors. eta vs tors. theta energy: -135.653
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: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1509.063286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.063286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.063286 (E_RNA)
where:
Base-Base interactions energy: -1027.234
where: short stacking energy: -449.520
Base-Backbone interact. energy: -0.283
local terms energy: -481.546034
where:
bonds (distance) C4'-P energy: -80.387
bonds (distance) P-C4' energy: -113.577
flat angles C4'-P-C4' energy: -102.274
flat angles P-C4'-P energy: -61.374
tors. eta vs tors. theta energy: -123.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1434.038277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.038277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.038277 (E_RNA)
where:
Base-Base interactions energy: -964.824
where: short stacking energy: -416.504
Base-Backbone interact. energy: -1.362
local terms energy: -467.852211
where:
bonds (distance) C4'-P energy: -83.882
bonds (distance) P-C4' energy: -95.101
flat angles C4'-P-C4' energy: -103.083
flat angles P-C4'-P energy: -79.535
tors. eta vs tors. theta energy: -106.251
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: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1273.824760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.824760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.824760 (E_RNA)
where:
Base-Base interactions energy: -839.648
where: short stacking energy: -337.506
Base-Backbone interact. energy: -1.453
local terms energy: -432.724029
where:
bonds (distance) C4'-P energy: -96.537
bonds (distance) P-C4' energy: -109.151
flat angles C4'-P-C4' energy: -86.257
flat angles P-C4'-P energy: -63.944
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: 8, replica: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -931.343808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.343808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.343808 (E_RNA)
where:
Base-Base interactions energy: -552.039
where: short stacking energy: -277.402
Base-Backbone interact. energy: 2.557
local terms energy: -381.861340
where:
bonds (distance) C4'-P energy: -89.246
bonds (distance) P-C4' energy: -92.677
flat angles C4'-P-C4' energy: -87.108
flat angles P-C4'-P energy: -56.929
tors. eta vs tors. theta energy: -55.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -876.453005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.453005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.453005 (E_RNA)
where:
Base-Base interactions energy: -527.948
where: short stacking energy: -222.731
Base-Backbone interact. energy: -2.306
local terms energy: -346.198461
where:
bonds (distance) C4'-P energy: -94.056
bonds (distance) P-C4' energy: -78.737
flat angles C4'-P-C4' energy: -83.981
flat angles P-C4'-P energy: -59.878
tors. eta vs tors. theta energy: -29.546
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: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -408.853539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.853539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.853539 (E_RNA)
where:
Base-Base interactions energy: -131.761
where: short stacking energy: -117.508
Base-Backbone interact. energy: -0.449
local terms energy: -276.643448
where:
bonds (distance) C4'-P energy: -86.224
bonds (distance) P-C4' energy: -95.678
flat angles C4'-P-C4' energy: -74.460
flat angles P-C4'-P energy: -41.674
tors. eta vs tors. theta energy: 21.393
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: 7
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1858.763446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.763446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.763446 (E_RNA)
where:
Base-Base interactions energy: -1283.161
where: short stacking energy: -539.455
Base-Backbone interact. energy: 0.982
local terms energy: -576.584358
where:
bonds (distance) C4'-P energy: -107.378
bonds (distance) P-C4' energy: -119.931
flat angles C4'-P-C4' energy: -117.610
flat angles P-C4'-P energy: -81.256
tors. eta vs tors. theta energy: -150.410
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: 1
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1781.640478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.640478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.640478 (E_RNA)
where:
Base-Base interactions energy: -1249.796
where: short stacking energy: -514.331
Base-Backbone interact. energy: -5.675
local terms energy: -526.169517
where:
bonds (distance) C4'-P energy: -101.542
bonds (distance) P-C4' energy: -100.388
flat angles C4'-P-C4' energy: -112.882
flat angles P-C4'-P energy: -70.482
tors. eta vs tors. theta energy: -140.876
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: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1621.553614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.553614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.553614 (E_RNA)
where:
Base-Base interactions energy: -1105.913
where: short stacking energy: -508.062
Base-Backbone interact. energy: -0.504
local terms energy: -515.136310
where:
bonds (distance) C4'-P energy: -97.365
bonds (distance) P-C4' energy: -102.858
flat angles C4'-P-C4' energy: -117.391
flat angles P-C4'-P energy: -70.039
tors. eta vs tors. theta energy: -127.483
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: 2
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1610.320490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.320490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.320490 (E_RNA)
where:
Base-Base interactions energy: -1063.477
where: short stacking energy: -507.941
Base-Backbone interact. energy: -0.694
local terms energy: -546.148904
where:
bonds (distance) C4'-P energy: -105.906
bonds (distance) P-C4' energy: -102.402
flat angles C4'-P-C4' energy: -113.012
flat angles P-C4'-P energy: -75.055
tors. eta vs tors. theta energy: -149.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1509.708368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.708368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.708368 (E_RNA)
where:
Base-Base interactions energy: -1042.100
where: short stacking energy: -460.997
Base-Backbone interact. energy: 1.150
local terms energy: -468.757765
where:
bonds (distance) C4'-P energy: -78.193
bonds (distance) P-C4' energy: -95.276
flat angles C4'-P-C4' energy: -108.316
flat angles P-C4'-P energy: -51.980
tors. eta vs tors. theta energy: -134.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1412.353108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.353108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.353108 (E_RNA)
where:
Base-Base interactions energy: -933.835
where: short stacking energy: -401.482
Base-Backbone interact. energy: 1.457
local terms energy: -479.975371
where:
bonds (distance) C4'-P energy: -97.492
bonds (distance) P-C4' energy: -90.588
flat angles C4'-P-C4' energy: -105.570
flat angles P-C4'-P energy: -80.087
tors. eta vs tors. theta energy: -106.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1277.250824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.250824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.250824 (E_RNA)
where:
Base-Base interactions energy: -846.649
where: short stacking energy: -367.780
Base-Backbone interact. energy: 5.643
local terms energy: -436.244356
where:
bonds (distance) C4'-P energy: -111.807
bonds (distance) P-C4' energy: -83.244
flat angles C4'-P-C4' energy: -94.633
flat angles P-C4'-P energy: -60.408
tors. eta vs tors. theta energy: -86.153
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: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -990.015390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.015390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.015390 (E_RNA)
where:
Base-Base interactions energy: -619.813
where: short stacking energy: -277.178
Base-Backbone interact. energy: -4.127
local terms energy: -366.075282
where:
bonds (distance) C4'-P energy: -84.947
bonds (distance) P-C4' energy: -85.559
flat angles C4'-P-C4' energy: -86.299
flat angles P-C4'-P energy: -58.299
tors. eta vs tors. theta energy: -50.972
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: 3
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -882.853148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.853148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.853148 (E_RNA)
where:
Base-Base interactions energy: -535.055
where: short stacking energy: -256.162
Base-Backbone interact. energy: -0.995
local terms energy: -346.802994
where:
bonds (distance) C4'-P energy: -90.585
bonds (distance) P-C4' energy: -95.453
flat angles C4'-P-C4' energy: -84.650
flat angles P-C4'-P energy: -40.184
tors. eta vs tors. theta energy: -35.932
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: 279
Temperature: 1.350000
Total energy: -497.893061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.893061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.893061 (E_RNA)
where:
Base-Base interactions energy: -217.126
where: short stacking energy: -147.444
Base-Backbone interact. energy: -0.384
local terms energy: -280.383085
where:
bonds (distance) C4'-P energy: -71.859
bonds (distance) P-C4' energy: -86.361
flat angles C4'-P-C4' energy: -69.109
flat angles P-C4'-P energy: -56.948
tors. eta vs tors. theta energy: 3.893
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: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1835.684967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.684967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.684967 (E_RNA)
where:
Base-Base interactions energy: -1261.376
where: short stacking energy: -525.657
Base-Backbone interact. energy: -5.621
local terms energy: -568.688243
where:
bonds (distance) C4'-P energy: -109.760
bonds (distance) P-C4' energy: -112.459
flat angles C4'-P-C4' energy: -119.188
flat angles P-C4'-P energy: -79.275
tors. eta vs tors. theta energy: -148.007
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: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1772.238399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.238399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.238399 (E_RNA)
where:
Base-Base interactions energy: -1226.330
where: short stacking energy: -521.765
Base-Backbone interact. energy: 0.764
local terms energy: -546.672077
where:
bonds (distance) C4'-P energy: -97.915
bonds (distance) P-C4' energy: -107.315
flat angles C4'-P-C4' energy: -119.201
flat angles P-C4'-P energy: -84.326
tors. eta vs tors. theta energy: -137.915
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: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1633.613709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.613709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.613709 (E_RNA)
where:
Base-Base interactions energy: -1102.636
where: short stacking energy: -491.800
Base-Backbone interact. energy: -1.799
local terms energy: -529.179298
where:
bonds (distance) C4'-P energy: -105.915
bonds (distance) P-C4' energy: -102.519
flat angles C4'-P-C4' energy: -115.405
flat angles P-C4'-P energy: -69.980
tors. eta vs tors. theta energy: -135.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1588.949081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.949081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.949081 (E_RNA)
where:
Base-Base interactions energy: -1069.677
where: short stacking energy: -464.378
Base-Backbone interact. energy: -3.919
local terms energy: -515.353821
where:
bonds (distance) C4'-P energy: -112.023
bonds (distance) P-C4' energy: -106.126
flat angles C4'-P-C4' energy: -101.539
flat angles P-C4'-P energy: -68.914
tors. eta vs tors. theta energy: -126.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1481.694832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.694832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.694832 (E_RNA)
where:
Base-Base interactions energy: -975.287
where: short stacking energy: -424.536
Base-Backbone interact. energy: -0.980
local terms energy: -505.427595
where:
bonds (distance) C4'-P energy: -94.449
bonds (distance) P-C4' energy: -89.532
flat angles C4'-P-C4' energy: -116.352
flat angles P-C4'-P energy: -82.186
tors. eta vs tors. theta energy: -122.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1390.428884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.428884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.428884 (E_RNA)
where:
Base-Base interactions energy: -954.853
where: short stacking energy: -413.156
Base-Backbone interact. energy: -3.608
local terms energy: -431.967170
where:
bonds (distance) C4'-P energy: -71.810
bonds (distance) P-C4' energy: -79.555
flat angles C4'-P-C4' energy: -97.943
flat angles P-C4'-P energy: -79.991
tors. eta vs tors. theta energy: -102.668
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: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1316.441699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.441699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.441699 (E_RNA)
where:
Base-Base interactions energy: -891.043
where: short stacking energy: -379.684
Base-Backbone interact. energy: -1.234
local terms energy: -424.164748
where:
bonds (distance) C4'-P energy: -88.099
bonds (distance) P-C4' energy: -90.106
flat angles C4'-P-C4' energy: -88.598
flat angles P-C4'-P energy: -66.457
tors. eta vs tors. theta energy: -90.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -959.914854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.914854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.914854 (E_RNA)
where:
Base-Base interactions energy: -571.503
where: short stacking energy: -265.125
Base-Backbone interact. energy: -1.678
local terms energy: -386.734392
where:
bonds (distance) C4'-P energy: -80.237
bonds (distance) P-C4' energy: -98.049
flat angles C4'-P-C4' energy: -95.487
flat angles P-C4'-P energy: -60.564
tors. eta vs tors. theta energy: -52.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -866.156309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.156309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.156309 (E_RNA)
where:
Base-Base interactions energy: -530.782
where: short stacking energy: -255.635
Base-Backbone interact. energy: -1.677
local terms energy: -333.696860
where:
bonds (distance) C4'-P energy: -80.129
bonds (distance) P-C4' energy: -67.023
flat angles C4'-P-C4' energy: -90.044
flat angles P-C4'-P energy: -59.633
tors. eta vs tors. theta energy: -36.867
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: 280
Temperature: 1.350000
Total energy: -458.169163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.169163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.169163 (E_RNA)
where:
Base-Base interactions energy: -186.913
where: short stacking energy: -141.610
Base-Backbone interact. energy: -0.824
local terms energy: -270.431835
where:
bonds (distance) C4'-P energy: -69.995
bonds (distance) P-C4' energy: -79.918
flat angles C4'-P-C4' energy: -69.892
flat angles P-C4'-P energy: -52.090
tors. eta vs tors. theta energy: 1.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1853.711787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.711787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.711787 (E_RNA)
where:
Base-Base interactions energy: -1277.697
where: short stacking energy: -541.718
Base-Backbone interact. energy: -3.738
local terms energy: -572.276398
where:
bonds (distance) C4'-P energy: -114.010
bonds (distance) P-C4' energy: -113.081
flat angles C4'-P-C4' energy: -111.624
flat angles P-C4'-P energy: -84.731
tors. eta vs tors. theta energy: -148.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1766.487169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.487169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.487169 (E_RNA)
where:
Base-Base interactions energy: -1207.306
where: short stacking energy: -507.457
Base-Backbone interact. energy: -3.025
local terms energy: -556.156442
where:
bonds (distance) C4'-P energy: -107.318
bonds (distance) P-C4' energy: -112.395
flat angles C4'-P-C4' energy: -113.449
flat angles P-C4'-P energy: -78.514
tors. eta vs tors. theta energy: -144.480
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: 2
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1650.082428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.082428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.082428 (E_RNA)
where:
Base-Base interactions energy: -1116.767
where: short stacking energy: -502.250
Base-Backbone interact. energy: -1.265
local terms energy: -532.050238
where:
bonds (distance) C4'-P energy: -100.149
bonds (distance) P-C4' energy: -111.203
flat angles C4'-P-C4' energy: -114.736
flat angles P-C4'-P energy: -72.943
tors. eta vs tors. theta energy: -133.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1594.851998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.851998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.851998 (E_RNA)
where:
Base-Base interactions energy: -1063.626
where: short stacking energy: -467.097
Base-Backbone interact. energy: -2.687
local terms energy: -528.538759
where:
bonds (distance) C4'-P energy: -99.397
bonds (distance) P-C4' energy: -113.032
flat angles C4'-P-C4' energy: -122.084
flat angles P-C4'-P energy: -69.768
tors. eta vs tors. theta energy: -124.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1539.238648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.238648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.238648 (E_RNA)
where:
Base-Base interactions energy: -1022.106
where: short stacking energy: -458.362
Base-Backbone interact. energy: -0.447
local terms energy: -516.685465
where:
bonds (distance) C4'-P energy: -98.419
bonds (distance) P-C4' energy: -112.005
flat angles C4'-P-C4' energy: -104.591
flat angles P-C4'-P energy: -71.825
tors. eta vs tors. theta energy: -129.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1384.505699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.505699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.505699 (E_RNA)
where:
Base-Base interactions energy: -916.583
where: short stacking energy: -397.399
Base-Backbone interact. energy: -2.395
local terms energy: -465.527653
where:
bonds (distance) C4'-P energy: -103.913
bonds (distance) P-C4' energy: -91.352
flat angles C4'-P-C4' energy: -103.750
flat angles P-C4'-P energy: -72.908
tors. eta vs tors. theta energy: -93.605
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: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1306.790583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.790583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.790583 (E_RNA)
where:
Base-Base interactions energy: -895.379
where: short stacking energy: -378.778
Base-Backbone interact. energy: -1.520
local terms energy: -409.891318
where:
bonds (distance) C4'-P energy: -83.907
bonds (distance) P-C4' energy: -86.177
flat angles C4'-P-C4' energy: -97.708
flat angles P-C4'-P energy: -63.156
tors. eta vs tors. theta energy: -78.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -925.462570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.462570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.462570 (E_RNA)
where:
Base-Base interactions energy: -533.902
where: short stacking energy: -268.006
Base-Backbone interact. energy: 2.699
local terms energy: -394.259136
where:
bonds (distance) C4'-P energy: -93.805
bonds (distance) P-C4' energy: -108.289
flat angles C4'-P-C4' energy: -100.261
flat angles P-C4'-P energy: -52.732
tors. eta vs tors. theta energy: -39.172
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: 3
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -913.788453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.788453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.788453 (E_RNA)
where:
Base-Base interactions energy: -572.890
where: short stacking energy: -253.373
Base-Backbone interact. energy: 8.482
local terms energy: -349.380379
where:
bonds (distance) C4'-P energy: -72.891
bonds (distance) P-C4' energy: -97.864
flat angles C4'-P-C4' energy: -91.158
flat angles P-C4'-P energy: -52.472
tors. eta vs tors. theta energy: -34.995
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: 281
Temperature: 1.350000
Total energy: -417.205862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.205862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.205862 (E_RNA)
where:
Base-Base interactions energy: -123.372
where: short stacking energy: -93.208
Base-Backbone interact. energy: 1.790
local terms energy: -295.623820
where:
bonds (distance) C4'-P energy: -81.675
bonds (distance) P-C4' energy: -103.391
flat angles C4'-P-C4' energy: -72.514
flat angles P-C4'-P energy: -62.368
tors. eta vs tors. theta energy: 24.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1889.427938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.427938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.427938 (E_RNA)
where:
Base-Base interactions energy: -1304.504
where: short stacking energy: -551.744
Base-Backbone interact. energy: -2.943
local terms energy: -581.980353
where:
bonds (distance) C4'-P energy: -103.682
bonds (distance) P-C4' energy: -112.470
flat angles C4'-P-C4' energy: -119.615
flat angles P-C4'-P energy: -89.076
tors. eta vs tors. theta energy: -157.137
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: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1761.301970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.301970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.301970 (E_RNA)
where:
Base-Base interactions energy: -1223.229
where: short stacking energy: -485.334
Base-Backbone interact. energy: -2.024
local terms energy: -536.049461
where:
bonds (distance) C4'-P energy: -108.932
bonds (distance) P-C4' energy: -92.420
flat angles C4'-P-C4' energy: -108.790
flat angles P-C4'-P energy: -82.258
tors. eta vs tors. theta energy: -143.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1627.032574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.032574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.032574 (E_RNA)
where:
Base-Base interactions energy: -1098.366
where: short stacking energy: -494.438
Base-Backbone interact. energy: -1.314
local terms energy: -527.352427
where:
bonds (distance) C4'-P energy: -88.588
bonds (distance) P-C4' energy: -110.189
flat angles C4'-P-C4' energy: -110.674
flat angles P-C4'-P energy: -78.313
tors. eta vs tors. theta energy: -139.589
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: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1574.335643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.335643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.335643 (E_RNA)
where:
Base-Base interactions energy: -1048.518
where: short stacking energy: -483.260
Base-Backbone interact. energy: -2.365
local terms energy: -523.452651
where:
bonds (distance) C4'-P energy: -89.663
bonds (distance) P-C4' energy: -96.419
flat angles C4'-P-C4' energy: -120.240
flat angles P-C4'-P energy: -73.598
tors. eta vs tors. theta energy: -143.533
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: 5
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1536.288951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.288951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.288951 (E_RNA)
where:
Base-Base interactions energy: -1033.734
where: short stacking energy: -450.015
Base-Backbone interact. energy: 3.830
local terms energy: -506.385634
where:
bonds (distance) C4'-P energy: -97.015
bonds (distance) P-C4' energy: -100.734
flat angles C4'-P-C4' energy: -112.275
flat angles P-C4'-P energy: -73.423
tors. eta vs tors. theta energy: -122.939
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: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1399.577691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.577691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.577691 (E_RNA)
where:
Base-Base interactions energy: -950.033
where: short stacking energy: -410.290
Base-Backbone interact. energy: -1.565
local terms energy: -447.980025
where:
bonds (distance) C4'-P energy: -81.372
bonds (distance) P-C4' energy: -97.154
flat angles C4'-P-C4' energy: -110.257
flat angles P-C4'-P energy: -54.903
tors. eta vs tors. theta energy: -104.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1328.935293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.935293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.935293 (E_RNA)
where:
Base-Base interactions energy: -915.289
where: short stacking energy: -378.001
Base-Backbone interact. energy: 3.573
local terms energy: -417.218657
where:
bonds (distance) C4'-P energy: -92.654
bonds (distance) P-C4' energy: -96.404
flat angles C4'-P-C4' energy: -89.937
flat angles P-C4'-P energy: -52.885
tors. eta vs tors. theta energy: -85.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -927.704913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.704913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.704913 (E_RNA)
where:
Base-Base interactions energy: -553.452
where: short stacking energy: -266.432
Base-Backbone interact. energy: -3.376
local terms energy: -370.876236
where:
bonds (distance) C4'-P energy: -89.622
bonds (distance) P-C4' energy: -90.983
flat angles C4'-P-C4' energy: -79.034
flat angles P-C4'-P energy: -59.524
tors. eta vs tors. theta energy: -51.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -854.682951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.682951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.682951 (E_RNA)
where:
Base-Base interactions energy: -529.448
where: short stacking energy: -245.705
Base-Backbone interact. energy: 1.619
local terms energy: -326.853607
where:
bonds (distance) C4'-P energy: -83.908
bonds (distance) P-C4' energy: -77.822
flat angles C4'-P-C4' energy: -81.814
flat angles P-C4'-P energy: -41.787
tors. eta vs tors. theta energy: -41.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -446.681923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.681923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.681923 (E_RNA)
where:
Base-Base interactions energy: -173.955
where: short stacking energy: -121.649
Base-Backbone interact. energy: 6.976
local terms energy: -279.703447
where:
bonds (distance) C4'-P energy: -83.657
bonds (distance) P-C4' energy: -90.456
flat angles C4'-P-C4' energy: -62.313
flat angles P-C4'-P energy: -54.084
tors. eta vs tors. theta energy: 10.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1860.546308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.546308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.546308 (E_RNA)
where:
Base-Base interactions energy: -1302.872
where: short stacking energy: -543.582
Base-Backbone interact. energy: -1.797
local terms energy: -555.878050
where:
bonds (distance) C4'-P energy: -95.866
bonds (distance) P-C4' energy: -108.117
flat angles C4'-P-C4' energy: -125.251
flat angles P-C4'-P energy: -65.228
tors. eta vs tors. theta energy: -161.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1753.510009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.510009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.510009 (E_RNA)
where:
Base-Base interactions energy: -1209.883
where: short stacking energy: -515.931
Base-Backbone interact. energy: -2.019
local terms energy: -541.608260
where:
bonds (distance) C4'-P energy: -106.018
bonds (distance) P-C4' energy: -100.475
flat angles C4'-P-C4' energy: -114.536
flat angles P-C4'-P energy: -88.417
tors. eta vs tors. theta energy: -132.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1632.774274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.774274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.774274 (E_RNA)
where:
Base-Base interactions energy: -1092.612
where: short stacking energy: -496.831
Base-Backbone interact. energy: -0.654
local terms energy: -539.508301
where:
bonds (distance) C4'-P energy: -102.796
bonds (distance) P-C4' energy: -91.957
flat angles C4'-P-C4' energy: -116.586
flat angles P-C4'-P energy: -87.439
tors. eta vs tors. theta energy: -140.729
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: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1572.357461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.357461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.357461 (E_RNA)
where:
Base-Base interactions energy: -1061.450
where: short stacking energy: -467.460
Base-Backbone interact. energy: -0.849
local terms energy: -510.058354
where:
bonds (distance) C4'-P energy: -89.018
bonds (distance) P-C4' energy: -105.687
flat angles C4'-P-C4' energy: -115.111
flat angles P-C4'-P energy: -74.488
tors. eta vs tors. theta energy: -125.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1493.176112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.176112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.176112 (E_RNA)
where:
Base-Base interactions energy: -995.976
where: short stacking energy: -455.587
Base-Backbone interact. energy: -5.309
local terms energy: -491.891206
where:
bonds (distance) C4'-P energy: -92.106
bonds (distance) P-C4' energy: -92.217
flat angles C4'-P-C4' energy: -113.182
flat angles P-C4'-P energy: -70.270
tors. eta vs tors. theta energy: -124.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1379.777192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.777192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.777192 (E_RNA)
where:
Base-Base interactions energy: -934.849
where: short stacking energy: -420.561
Base-Backbone interact. energy: -2.957
local terms energy: -441.971263
where:
bonds (distance) C4'-P energy: -76.962
bonds (distance) P-C4' energy: -103.453
flat angles C4'-P-C4' energy: -90.888
flat angles P-C4'-P energy: -58.510
tors. eta vs tors. theta energy: -112.157
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: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1300.998583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.998583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.998583 (E_RNA)
where:
Base-Base interactions energy: -857.358
where: short stacking energy: -359.759
Base-Backbone interact. energy: 2.699
local terms energy: -446.339209
where:
bonds (distance) C4'-P energy: -84.195
bonds (distance) P-C4' energy: -108.570
flat angles C4'-P-C4' energy: -105.611
flat angles P-C4'-P energy: -65.040
tors. eta vs tors. theta energy: -82.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -913.588047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.588047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.588047 (E_RNA)
where:
Base-Base interactions energy: -540.494
where: short stacking energy: -246.390
Base-Backbone interact. energy: -3.380
local terms energy: -369.714395
where:
bonds (distance) C4'-P energy: -100.808
bonds (distance) P-C4' energy: -100.505
flat angles C4'-P-C4' energy: -80.929
flat angles P-C4'-P energy: -60.160
tors. eta vs tors. theta energy: -27.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -865.707076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.707076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.707076 (E_RNA)
where:
Base-Base interactions energy: -532.496
where: short stacking energy: -234.493
Base-Backbone interact. energy: -1.200
local terms energy: -332.011463
where:
bonds (distance) C4'-P energy: -82.269
bonds (distance) P-C4' energy: -91.915
flat angles C4'-P-C4' energy: -83.644
flat angles P-C4'-P energy: -53.580
tors. eta vs tors. theta energy: -20.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -433.752680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.752680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.752680 (E_RNA)
where:
Base-Base interactions energy: -173.213
where: short stacking energy: -123.613
Base-Backbone interact. energy: 1.397
local terms energy: -261.936893
where:
bonds (distance) C4'-P energy: -82.753
bonds (distance) P-C4' energy: -90.995
flat angles C4'-P-C4' energy: -74.158
flat angles P-C4'-P energy: -23.729
tors. eta vs tors. theta energy: 9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1867.561479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.561479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.561479 (E_RNA)
where:
Base-Base interactions energy: -1270.855
where: short stacking energy: -541.071
Base-Backbone interact. energy: -1.470
local terms energy: -595.236436
where:
bonds (distance) C4'-P energy: -118.833
bonds (distance) P-C4' energy: -111.358
flat angles C4'-P-C4' energy: -130.916
flat angles P-C4'-P energy: -81.755
tors. eta vs tors. theta energy: -152.375
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: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1768.324626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.324626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.324626 (E_RNA)
where:
Base-Base interactions energy: -1218.673
where: short stacking energy: -506.379
Base-Backbone interact. energy: -2.167
local terms energy: -547.484897
where:
bonds (distance) C4'-P energy: -106.100
bonds (distance) P-C4' energy: -105.627
flat angles C4'-P-C4' energy: -120.422
flat angles P-C4'-P energy: -78.633
tors. eta vs tors. theta energy: -136.703
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: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1622.719454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.719454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.719454 (E_RNA)
where:
Base-Base interactions energy: -1106.872
where: short stacking energy: -490.915
Base-Backbone interact. energy: 0.825
local terms energy: -516.672323
where:
bonds (distance) C4'-P energy: -107.143
bonds (distance) P-C4' energy: -112.029
flat angles C4'-P-C4' energy: -88.809
flat angles P-C4'-P energy: -70.163
tors. eta vs tors. theta energy: -138.528
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: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1575.481207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.481207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.481207 (E_RNA)
where:
Base-Base interactions energy: -1069.615
where: short stacking energy: -477.625
Base-Backbone interact. energy: -3.176
local terms energy: -502.689370
where:
bonds (distance) C4'-P energy: -88.581
bonds (distance) P-C4' energy: -86.011
flat angles C4'-P-C4' energy: -110.730
flat angles P-C4'-P energy: -81.666
tors. eta vs tors. theta energy: -135.702
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: 5
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1514.663105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.663105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.663105 (E_RNA)
where:
Base-Base interactions energy: -1016.832
where: short stacking energy: -448.370
Base-Backbone interact. energy: -2.752
local terms energy: -495.078848
where:
bonds (distance) C4'-P energy: -86.785
bonds (distance) P-C4' energy: -105.545
flat angles C4'-P-C4' energy: -104.356
flat angles P-C4'-P energy: -75.260
tors. eta vs tors. theta energy: -123.134
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: 6, replica: 9
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1392.317679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.317679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.317679 (E_RNA)
where:
Base-Base interactions energy: -928.681
where: short stacking energy: -390.241
Base-Backbone interact. energy: -0.771
local terms energy: -462.865591
where:
bonds (distance) C4'-P energy: -96.160
bonds (distance) P-C4' energy: -96.680
flat angles C4'-P-C4' energy: -102.824
flat angles P-C4'-P energy: -63.848
tors. eta vs tors. theta energy: -103.354
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: 7, replica: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1279.297253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.297253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.297253 (E_RNA)
where:
Base-Base interactions energy: -860.797
where: short stacking energy: -351.118
Base-Backbone interact. energy: -1.630
local terms energy: -416.870434
where:
bonds (distance) C4'-P energy: -80.087
bonds (distance) P-C4' energy: -90.660
flat angles C4'-P-C4' energy: -103.897
flat angles P-C4'-P energy: -56.083
tors. eta vs tors. theta energy: -86.142
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: 8, replica: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -917.629352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.629352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.629352 (E_RNA)
where:
Base-Base interactions energy: -530.983
where: short stacking energy: -279.918
Base-Backbone interact. energy: -0.660
local terms energy: -385.985871
where:
bonds (distance) C4'-P energy: -77.201
bonds (distance) P-C4' energy: -106.454
flat angles C4'-P-C4' energy: -99.332
flat angles P-C4'-P energy: -60.878
tors. eta vs tors. theta energy: -42.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -892.218386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.218386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.218386 (E_RNA)
where:
Base-Base interactions energy: -529.323
where: short stacking energy: -246.141
Base-Backbone interact. energy: -0.329
local terms energy: -362.566246
where:
bonds (distance) C4'-P energy: -102.354
bonds (distance) P-C4' energy: -88.674
flat angles C4'-P-C4' energy: -83.039
flat angles P-C4'-P energy: -59.515
tors. eta vs tors. theta energy: -28.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -432.904106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.904106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.904106 (E_RNA)
where:
Base-Base interactions energy: -160.286
where: short stacking energy: -137.135
Base-Backbone interact. energy: -2.949
local terms energy: -269.668573
where:
bonds (distance) C4'-P energy: -60.867
bonds (distance) P-C4' energy: -95.865
flat angles C4'-P-C4' energy: -77.001
flat angles P-C4'-P energy: -43.910
tors. eta vs tors. theta energy: 7.974
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: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1862.239475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.239475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.239475 (E_RNA)
where:
Base-Base interactions energy: -1269.594
where: short stacking energy: -543.174
Base-Backbone interact. energy: -3.253
local terms energy: -589.392040
where:
bonds (distance) C4'-P energy: -120.310
bonds (distance) P-C4' energy: -112.304
flat angles C4'-P-C4' energy: -116.722
flat angles P-C4'-P energy: -86.490
tors. eta vs tors. theta energy: -153.566
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: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1783.588066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.588066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.588066 (E_RNA)
where:
Base-Base interactions energy: -1232.098
where: short stacking energy: -515.520
Base-Backbone interact. energy: -1.049
local terms energy: -550.440204
where:
bonds (distance) C4'-P energy: -101.030
bonds (distance) P-C4' energy: -107.252
flat angles C4'-P-C4' energy: -116.015
flat angles P-C4'-P energy: -89.510
tors. eta vs tors. theta energy: -136.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1656.086205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.086205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.086205 (E_RNA)
where:
Base-Base interactions energy: -1153.955
where: short stacking energy: -491.031
Base-Backbone interact. energy: -1.295
local terms energy: -500.835973
where:
bonds (distance) C4'-P energy: -113.658
bonds (distance) P-C4' energy: -100.369
flat angles C4'-P-C4' energy: -100.866
flat angles P-C4'-P energy: -60.834
tors. eta vs tors. theta energy: -125.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1543.507131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.507131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.507131 (E_RNA)
where:
Base-Base interactions energy: -1016.277
where: short stacking energy: -471.254
Base-Backbone interact. energy: 0.770
local terms energy: -528.000736
where:
bonds (distance) C4'-P energy: -106.432
bonds (distance) P-C4' energy: -101.430
flat angles C4'-P-C4' energy: -122.196
flat angles P-C4'-P energy: -65.000
tors. eta vs tors. theta energy: -132.943
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: 5
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1531.858383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.858383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.858383 (E_RNA)
where:
Base-Base interactions energy: -1051.319
where: short stacking energy: -450.192
Base-Backbone interact. energy: -0.488
local terms energy: -480.051140
where:
bonds (distance) C4'-P energy: -80.902
bonds (distance) P-C4' energy: -93.671
flat angles C4'-P-C4' energy: -110.482
flat angles P-C4'-P energy: -78.358
tors. eta vs tors. theta energy: -116.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1375.408176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.408176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.408176 (E_RNA)
where:
Base-Base interactions energy: -932.539
where: short stacking energy: -381.898
Base-Backbone interact. energy: -2.238
local terms energy: -440.631443
where:
bonds (distance) C4'-P energy: -97.376
bonds (distance) P-C4' energy: -90.317
flat angles C4'-P-C4' energy: -97.240
flat angles P-C4'-P energy: -66.633
tors. eta vs tors. theta energy: -89.065
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: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1250.448901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.448901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.448901 (E_RNA)
where:
Base-Base interactions energy: -810.349
where: short stacking energy: -341.198
Base-Backbone interact. energy: 5.860
local terms energy: -445.959765
where:
bonds (distance) C4'-P energy: -102.588
bonds (distance) P-C4' energy: -101.625
flat angles C4'-P-C4' energy: -94.015
flat angles P-C4'-P energy: -69.064
tors. eta vs tors. theta energy: -78.669
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: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -896.801130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.801130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.801130 (E_RNA)
where:
Base-Base interactions energy: -526.035
where: short stacking energy: -260.522
Base-Backbone interact. energy: -0.795
local terms energy: -369.970429
where:
bonds (distance) C4'-P energy: -86.450
bonds (distance) P-C4' energy: -95.463
flat angles C4'-P-C4' energy: -84.000
flat angles P-C4'-P energy: -49.909
tors. eta vs tors. theta energy: -54.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -969.797162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.797162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.797162 (E_RNA)
where:
Base-Base interactions energy: -619.129
where: short stacking energy: -268.289
Base-Backbone interact. energy: -2.239
local terms energy: -348.428911
where:
bonds (distance) C4'-P energy: -91.924
bonds (distance) P-C4' energy: -84.409
flat angles C4'-P-C4' energy: -83.923
flat angles P-C4'-P energy: -37.311
tors. eta vs tors. theta energy: -50.862
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: 285
Temperature: 1.350000
Total energy: -432.412849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.412849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.412849 (E_RNA)
where:
Base-Base interactions energy: -195.013
where: short stacking energy: -130.342
Base-Backbone interact. energy: -1.817
local terms energy: -235.582680
where:
bonds (distance) C4'-P energy: -83.734
bonds (distance) P-C4' energy: -80.521
flat angles C4'-P-C4' energy: -47.713
flat angles P-C4'-P energy: -33.296
tors. eta vs tors. theta energy: 9.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1851.685523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.685523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.685523 (E_RNA)
where:
Base-Base interactions energy: -1273.372
where: short stacking energy: -529.865
Base-Backbone interact. energy: -4.993
local terms energy: -573.319713
where:
bonds (distance) C4'-P energy: -116.526
bonds (distance) P-C4' energy: -107.989
flat angles C4'-P-C4' energy: -130.332
flat angles P-C4'-P energy: -72.089
tors. eta vs tors. theta energy: -146.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1774.338048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.338048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.338048 (E_RNA)
where:
Base-Base interactions energy: -1214.297
where: short stacking energy: -512.601
Base-Backbone interact. energy: -6.264
local terms energy: -553.777351
where:
bonds (distance) C4'-P energy: -105.188
bonds (distance) P-C4' energy: -111.878
flat angles C4'-P-C4' energy: -123.099
flat angles P-C4'-P energy: -75.693
tors. eta vs tors. theta energy: -137.919
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: 4
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1617.962250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.962250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.962250 (E_RNA)
where:
Base-Base interactions energy: -1079.080
where: short stacking energy: -481.085
Base-Backbone interact. energy: -5.496
local terms energy: -533.386539
where:
bonds (distance) C4'-P energy: -98.801
bonds (distance) P-C4' energy: -105.349
flat angles C4'-P-C4' energy: -124.212
flat angles P-C4'-P energy: -72.374
tors. eta vs tors. theta energy: -132.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1534.621007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.621007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.621007 (E_RNA)
where:
Base-Base interactions energy: -1011.668
where: short stacking energy: -444.255
Base-Backbone interact. energy: -2.857
local terms energy: -520.096323
where:
bonds (distance) C4'-P energy: -103.239
bonds (distance) P-C4' energy: -93.886
flat angles C4'-P-C4' energy: -111.966
flat angles P-C4'-P energy: -77.424
tors. eta vs tors. theta energy: -133.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1529.832999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.832999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.832999 (E_RNA)
where:
Base-Base interactions energy: -1063.387
where: short stacking energy: -474.251
Base-Backbone interact. energy: 2.735
local terms energy: -469.181030
where:
bonds (distance) C4'-P energy: -83.010
bonds (distance) P-C4' energy: -91.605
flat angles C4'-P-C4' energy: -102.619
flat angles P-C4'-P energy: -73.652
tors. eta vs tors. theta energy: -118.296
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: 9
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1387.959543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.959543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.959543 (E_RNA)
where:
Base-Base interactions energy: -957.239
where: short stacking energy: -402.220
Base-Backbone interact. energy: -2.090
local terms energy: -428.631128
where:
bonds (distance) C4'-P energy: -92.776
bonds (distance) P-C4' energy: -92.259
flat angles C4'-P-C4' energy: -92.089
flat angles P-C4'-P energy: -64.705
tors. eta vs tors. theta energy: -86.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1286.665613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.665613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.665613 (E_RNA)
where:
Base-Base interactions energy: -840.133
where: short stacking energy: -348.237
Base-Backbone interact. energy: -4.423
local terms energy: -442.110027
where:
bonds (distance) C4'-P energy: -102.872
bonds (distance) P-C4' energy: -94.350
flat angles C4'-P-C4' energy: -97.014
flat angles P-C4'-P energy: -63.412
tors. eta vs tors. theta energy: -84.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -954.730670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.730670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.730670 (E_RNA)
where:
Base-Base interactions energy: -552.386
where: short stacking energy: -267.807
Base-Backbone interact. energy: 2.438
local terms energy: -404.782610
where:
bonds (distance) C4'-P energy: -78.010
bonds (distance) P-C4' energy: -101.574
flat angles C4'-P-C4' energy: -101.464
flat angles P-C4'-P energy: -69.632
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: 9, replica: 3
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -959.322799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.322799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.322799 (E_RNA)
where:
Base-Base interactions energy: -594.974
where: short stacking energy: -244.693
Base-Backbone interact. energy: -2.062
local terms energy: -362.286848
where:
bonds (distance) C4'-P energy: -91.999
bonds (distance) P-C4' energy: -87.790
flat angles C4'-P-C4' energy: -93.250
flat angles P-C4'-P energy: -55.774
tors. eta vs tors. theta energy: -33.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -480.589597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.589597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.589597 (E_RNA)
where:
Base-Base interactions energy: -205.246
where: short stacking energy: -147.870
Base-Backbone interact. energy: 0.176
local terms energy: -275.519399
where:
bonds (distance) C4'-P energy: -89.821
bonds (distance) P-C4' energy: -94.364
flat angles C4'-P-C4' energy: -57.638
flat angles P-C4'-P energy: -32.412
tors. eta vs tors. theta energy: -1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1833.430368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.430368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.430368 (E_RNA)
where:
Base-Base interactions energy: -1265.703
where: short stacking energy: -539.775
Base-Backbone interact. energy: -4.629
local terms energy: -563.098880
where:
bonds (distance) C4'-P energy: -99.976
bonds (distance) P-C4' energy: -114.436
flat angles C4'-P-C4' energy: -128.014
flat angles P-C4'-P energy: -71.540
tors. eta vs tors. theta energy: -149.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1759.843980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.843980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.843980 (E_RNA)
where:
Base-Base interactions energy: -1202.963
where: short stacking energy: -525.027
Base-Backbone interact. energy: 0.684
local terms energy: -557.564874
where:
bonds (distance) C4'-P energy: -102.505
bonds (distance) P-C4' energy: -108.495
flat angles C4'-P-C4' energy: -118.169
flat angles P-C4'-P energy: -80.530
tors. eta vs tors. theta energy: -147.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1675.997888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.997888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.997888 (E_RNA)
where:
Base-Base interactions energy: -1151.679
where: short stacking energy: -497.388
Base-Backbone interact. energy: -3.629
local terms energy: -520.689572
where:
bonds (distance) C4'-P energy: -90.560
bonds (distance) P-C4' energy: -100.935
flat angles C4'-P-C4' energy: -111.101
flat angles P-C4'-P energy: -71.866
tors. eta vs tors. theta energy: -146.229
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: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1630.123400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.123400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.123400 (E_RNA)
where:
Base-Base interactions energy: -1113.866
where: short stacking energy: -482.196
Base-Backbone interact. energy: -2.031
local terms energy: -514.227156
where:
bonds (distance) C4'-P energy: -102.394
bonds (distance) P-C4' energy: -97.423
flat angles C4'-P-C4' energy: -111.493
flat angles P-C4'-P energy: -69.099
tors. eta vs tors. theta energy: -133.818
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: 287
Temperature: 1.100000
Total energy: -1506.487368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.487368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.487368 (E_RNA)
where:
Base-Base interactions energy: -990.188
where: short stacking energy: -440.163
Base-Backbone interact. energy: -2.230
local terms energy: -514.069237
where:
bonds (distance) C4'-P energy: -97.201
bonds (distance) P-C4' energy: -114.085
flat angles C4'-P-C4' energy: -106.275
flat angles P-C4'-P energy: -66.233
tors. eta vs tors. theta energy: -130.275
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: 9
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1382.907495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.907495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.907495 (E_RNA)
where:
Base-Base interactions energy: -931.610
where: short stacking energy: -404.599
Base-Backbone interact. energy: -3.009
local terms energy: -448.288614
where:
bonds (distance) C4'-P energy: -100.453
bonds (distance) P-C4' energy: -85.552
flat angles C4'-P-C4' energy: -111.085
flat angles P-C4'-P energy: -46.105
tors. eta vs tors. theta energy: -105.093
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: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1289.213135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.213135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.213135 (E_RNA)
where:
Base-Base interactions energy: -870.952
where: short stacking energy: -371.811
Base-Backbone interact. energy: -0.405
local terms energy: -417.855999
where:
bonds (distance) C4'-P energy: -84.434
bonds (distance) P-C4' energy: -92.458
flat angles C4'-P-C4' energy: -91.039
flat angles P-C4'-P energy: -76.209
tors. eta vs tors. theta energy: -73.716
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: 3
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -988.111377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.111377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.111377 (E_RNA)
where:
Base-Base interactions energy: -627.882
where: short stacking energy: -278.588
Base-Backbone interact. energy: -1.431
local terms energy: -358.797698
where:
bonds (distance) C4'-P energy: -79.063
bonds (distance) P-C4' energy: -100.830
flat angles C4'-P-C4' energy: -70.995
flat angles P-C4'-P energy: -65.767
tors. eta vs tors. theta energy: -42.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -828.691087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.691087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.691087 (E_RNA)
where:
Base-Base interactions energy: -482.307
where: short stacking energy: -251.518
Base-Backbone interact. energy: -0.049
local terms energy: -346.335191
where:
bonds (distance) C4'-P energy: -82.263
bonds (distance) P-C4' energy: -85.010
flat angles C4'-P-C4' energy: -92.793
flat angles P-C4'-P energy: -47.955
tors. eta vs tors. theta energy: -38.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -461.158474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.158474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.158474 (E_RNA)
where:
Base-Base interactions energy: -180.334
where: short stacking energy: -97.605
Base-Backbone interact. energy: -2.974
local terms energy: -277.850870
where:
bonds (distance) C4'-P energy: -87.626
bonds (distance) P-C4' energy: -97.755
flat angles C4'-P-C4' energy: -79.246
flat angles P-C4'-P energy: -29.819
tors. eta vs tors. theta energy: 16.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1837.297462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.297462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.297462 (E_RNA)
where:
Base-Base interactions energy: -1271.843
where: short stacking energy: -545.271
Base-Backbone interact. energy: -3.280
local terms energy: -562.173778
where:
bonds (distance) C4'-P energy: -103.032
bonds (distance) P-C4' energy: -108.818
flat angles C4'-P-C4' energy: -110.789
flat angles P-C4'-P energy: -80.417
tors. eta vs tors. theta energy: -159.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1772.250343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.250343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.250343 (E_RNA)
where:
Base-Base interactions energy: -1203.572
where: short stacking energy: -512.957
Base-Backbone interact. energy: -1.659
local terms energy: -567.020287
where:
bonds (distance) C4'-P energy: -112.644
bonds (distance) P-C4' energy: -95.793
flat angles C4'-P-C4' energy: -111.028
flat angles P-C4'-P energy: -90.749
tors. eta vs tors. theta energy: -156.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1663.990159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.990159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.990159 (E_RNA)
where:
Base-Base interactions energy: -1122.669
where: short stacking energy: -493.806
Base-Backbone interact. energy: -2.863
local terms energy: -538.458176
where:
bonds (distance) C4'-P energy: -96.415
bonds (distance) P-C4' energy: -107.482
flat angles C4'-P-C4' energy: -117.304
flat angles P-C4'-P energy: -76.339
tors. eta vs tors. theta energy: -140.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1619.525187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.525187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.525187 (E_RNA)
where:
Base-Base interactions energy: -1096.196
where: short stacking energy: -490.414
Base-Backbone interact. energy: -0.812
local terms energy: -522.516699
where:
bonds (distance) C4'-P energy: -97.383
bonds (distance) P-C4' energy: -91.253
flat angles C4'-P-C4' energy: -120.174
flat angles P-C4'-P energy: -67.740
tors. eta vs tors. theta energy: -145.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1474.521863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.521863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.521863 (E_RNA)
where:
Base-Base interactions energy: -984.615
where: short stacking energy: -457.995
Base-Backbone interact. energy: -0.625
local terms energy: -489.281129
where:
bonds (distance) C4'-P energy: -86.005
bonds (distance) P-C4' energy: -109.854
flat angles C4'-P-C4' energy: -110.926
flat angles P-C4'-P energy: -64.786
tors. eta vs tors. theta energy: -117.710
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: 9
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1416.699687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.699687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.699687 (E_RNA)
where:
Base-Base interactions energy: -946.794
where: short stacking energy: -398.460
Base-Backbone interact. energy: -2.616
local terms energy: -467.289309
where:
bonds (distance) C4'-P energy: -91.296
bonds (distance) P-C4' energy: -107.688
flat angles C4'-P-C4' energy: -99.937
flat angles P-C4'-P energy: -66.987
tors. eta vs tors. theta energy: -101.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1305.268646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.268646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.268646 (E_RNA)
where:
Base-Base interactions energy: -869.955
where: short stacking energy: -343.980
Base-Backbone interact. energy: 1.436
local terms energy: -436.748918
where:
bonds (distance) C4'-P energy: -89.771
bonds (distance) P-C4' energy: -111.281
flat angles C4'-P-C4' energy: -94.318
flat angles P-C4'-P energy: -62.988
tors. eta vs tors. theta energy: -78.391
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: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1008.801280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.801280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.801280 (E_RNA)
where:
Base-Base interactions energy: -635.638
where: short stacking energy: -300.159
Base-Backbone interact. energy: 0.737
local terms energy: -373.900353
where:
bonds (distance) C4'-P energy: -76.628
bonds (distance) P-C4' energy: -102.384
flat angles C4'-P-C4' energy: -96.640
flat angles P-C4'-P energy: -50.053
tors. eta vs tors. theta energy: -48.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -793.521775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.521775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.521775 (E_RNA)
where:
Base-Base interactions energy: -450.319
where: short stacking energy: -212.568
Base-Backbone interact. energy: -1.076
local terms energy: -342.126783
where:
bonds (distance) C4'-P energy: -84.983
bonds (distance) P-C4' energy: -89.154
flat angles C4'-P-C4' energy: -79.827
flat angles P-C4'-P energy: -63.086
tors. eta vs tors. theta energy: -25.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -415.653072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.653072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.653072 (E_RNA)
where:
Base-Base interactions energy: -149.373
where: short stacking energy: -133.006
Base-Backbone interact. energy: -1.635
local terms energy: -264.644897
where:
bonds (distance) C4'-P energy: -80.955
bonds (distance) P-C4' energy: -90.398
flat angles C4'-P-C4' energy: -76.886
flat angles P-C4'-P energy: -48.743
tors. eta vs tors. theta energy: 32.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1853.811883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.811883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.811883 (E_RNA)
where:
Base-Base interactions energy: -1305.622
where: short stacking energy: -540.565
Base-Backbone interact. energy: -2.091
local terms energy: -546.099097
where:
bonds (distance) C4'-P energy: -92.931
bonds (distance) P-C4' energy: -107.595
flat angles C4'-P-C4' energy: -122.286
flat angles P-C4'-P energy: -74.206
tors. eta vs tors. theta energy: -149.081
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: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1782.145667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.145667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.145667 (E_RNA)
where:
Base-Base interactions energy: -1208.830
where: short stacking energy: -531.311
Base-Backbone interact. energy: -1.989
local terms energy: -571.327161
where:
bonds (distance) C4'-P energy: -104.503
bonds (distance) P-C4' energy: -111.165
flat angles C4'-P-C4' energy: -125.978
flat angles P-C4'-P energy: -78.843
tors. eta vs tors. theta energy: -150.838
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: 4
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1655.946471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.946471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.946471 (E_RNA)
where:
Base-Base interactions energy: -1125.874
where: short stacking energy: -507.861
Base-Backbone interact. energy: -0.712
local terms energy: -529.360431
where:
bonds (distance) C4'-P energy: -96.184
bonds (distance) P-C4' energy: -98.926
flat angles C4'-P-C4' energy: -107.703
flat angles P-C4'-P energy: -71.518
tors. eta vs tors. theta energy: -155.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1590.284528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.284528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.284528 (E_RNA)
where:
Base-Base interactions energy: -1062.079
where: short stacking energy: -470.868
Base-Backbone interact. energy: -0.238
local terms energy: -527.967175
where:
bonds (distance) C4'-P energy: -107.652
bonds (distance) P-C4' energy: -94.231
flat angles C4'-P-C4' energy: -111.960
flat angles P-C4'-P energy: -82.918
tors. eta vs tors. theta energy: -131.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1511.787444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.787444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.787444 (E_RNA)
where:
Base-Base interactions energy: -1002.093
where: short stacking energy: -444.960
Base-Backbone interact. energy: -2.009
local terms energy: -507.685611
where:
bonds (distance) C4'-P energy: -104.293
bonds (distance) P-C4' energy: -102.234
flat angles C4'-P-C4' energy: -115.942
flat angles P-C4'-P energy: -60.713
tors. eta vs tors. theta energy: -124.502
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: 9
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1390.859552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.859552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.859552 (E_RNA)
where:
Base-Base interactions energy: -943.083
where: short stacking energy: -387.644
Base-Backbone interact. energy: -0.670
local terms energy: -447.106891
where:
bonds (distance) C4'-P energy: -97.974
bonds (distance) P-C4' energy: -99.313
flat angles C4'-P-C4' energy: -103.628
flat angles P-C4'-P energy: -56.821
tors. eta vs tors. theta energy: -89.371
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: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1285.534425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.534425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.534425 (E_RNA)
where:
Base-Base interactions energy: -857.408
where: short stacking energy: -359.427
Base-Backbone interact. energy: -0.500
local terms energy: -427.626049
where:
bonds (distance) C4'-P energy: -99.216
bonds (distance) P-C4' energy: -77.843
flat angles C4'-P-C4' energy: -102.558
flat angles P-C4'-P energy: -67.524
tors. eta vs tors. theta energy: -80.485
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: 3
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1015.901806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.901806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.901806 (E_RNA)
where:
Base-Base interactions energy: -624.387
where: short stacking energy: -297.112
Base-Backbone interact. energy: 1.750
local terms energy: -393.264976
where:
bonds (distance) C4'-P energy: -93.909
bonds (distance) P-C4' energy: -105.939
flat angles C4'-P-C4' energy: -74.574
flat angles P-C4'-P energy: -64.835
tors. eta vs tors. theta energy: -54.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -786.778932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.778932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.778932 (E_RNA)
where:
Base-Base interactions energy: -469.743
where: short stacking energy: -209.034
Base-Backbone interact. energy: 1.978
local terms energy: -319.014241
where:
bonds (distance) C4'-P energy: -94.711
bonds (distance) P-C4' energy: -79.653
flat angles C4'-P-C4' energy: -92.374
flat angles P-C4'-P energy: -57.171
tors. eta vs tors. theta energy: 4.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -450.619600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.619600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.619600 (E_RNA)
where:
Base-Base interactions energy: -176.735
where: short stacking energy: -127.200
Base-Backbone interact. energy: 0.003
local terms energy: -273.887259
where:
bonds (distance) C4'-P energy: -84.339
bonds (distance) P-C4' energy: -82.256
flat angles C4'-P-C4' energy: -70.916
flat angles P-C4'-P energy: -45.391
tors. eta vs tors. theta energy: 9.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1837.110189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.110189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.110189 (E_RNA)
where:
Base-Base interactions energy: -1283.367
where: short stacking energy: -528.235
Base-Backbone interact. energy: -1.064
local terms energy: -552.678667
where:
bonds (distance) C4'-P energy: -94.783
bonds (distance) P-C4' energy: -110.322
flat angles C4'-P-C4' energy: -115.809
flat angles P-C4'-P energy: -70.121
tors. eta vs tors. theta energy: -161.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1770.734840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.734840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.734840 (E_RNA)
where:
Base-Base interactions energy: -1228.269
where: short stacking energy: -491.553
Base-Backbone interact. energy: -4.420
local terms energy: -538.045669
where:
bonds (distance) C4'-P energy: -97.600
bonds (distance) P-C4' energy: -111.418
flat angles C4'-P-C4' energy: -112.718
flat angles P-C4'-P energy: -81.116
tors. eta vs tors. theta energy: -135.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1642.428895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.428895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.428895 (E_RNA)
where:
Base-Base interactions energy: -1104.579
where: short stacking energy: -482.579
Base-Backbone interact. energy: -0.469
local terms energy: -537.380685
where:
bonds (distance) C4'-P energy: -102.617
bonds (distance) P-C4' energy: -107.457
flat angles C4'-P-C4' energy: -115.521
flat angles P-C4'-P energy: -78.293
tors. eta vs tors. theta energy: -133.492
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: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1622.776404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.776404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.776404 (E_RNA)
where:
Base-Base interactions energy: -1095.231
where: short stacking energy: -508.028
Base-Backbone interact. energy: -1.982
local terms energy: -525.563161
where:
bonds (distance) C4'-P energy: -91.260
bonds (distance) P-C4' energy: -113.455
flat angles C4'-P-C4' energy: -108.332
flat angles P-C4'-P energy: -68.887
tors. eta vs tors. theta energy: -143.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1518.145038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.145038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.145038 (E_RNA)
where:
Base-Base interactions energy: -1028.472
where: short stacking energy: -450.599
Base-Backbone interact. energy: 10.607
local terms energy: -500.280043
where:
bonds (distance) C4'-P energy: -102.556
bonds (distance) P-C4' energy: -101.163
flat angles C4'-P-C4' energy: -95.653
flat angles P-C4'-P energy: -79.546
tors. eta vs tors. theta energy: -121.362
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: 9
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1408.639573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.639573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.639573 (E_RNA)
where:
Base-Base interactions energy: -946.382
where: short stacking energy: -424.231
Base-Backbone interact. energy: 2.049
local terms energy: -464.306454
where:
bonds (distance) C4'-P energy: -87.855
bonds (distance) P-C4' energy: -107.210
flat angles C4'-P-C4' energy: -98.207
flat angles P-C4'-P energy: -65.221
tors. eta vs tors. theta energy: -105.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1301.101496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.101496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.101496 (E_RNA)
where:
Base-Base interactions energy: -871.473
where: short stacking energy: -359.181
Base-Backbone interact. energy: -2.147
local terms energy: -427.480870
where:
bonds (distance) C4'-P energy: -90.805
bonds (distance) P-C4' energy: -94.482
flat angles C4'-P-C4' energy: -92.148
flat angles P-C4'-P energy: -53.339
tors. eta vs tors. theta energy: -96.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1032.464308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.464308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.464308 (E_RNA)
where:
Base-Base interactions energy: -628.205
where: short stacking energy: -290.552
Base-Backbone interact. energy: -2.437
local terms energy: -401.822381
where:
bonds (distance) C4'-P energy: -95.750
bonds (distance) P-C4' energy: -87.107
flat angles C4'-P-C4' energy: -96.485
flat angles P-C4'-P energy: -68.578
tors. eta vs tors. theta energy: -53.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -838.825848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.825848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.825848 (E_RNA)
where:
Base-Base interactions energy: -491.406
where: short stacking energy: -240.794
Base-Backbone interact. energy: 0.028
local terms energy: -347.447722
where:
bonds (distance) C4'-P energy: -88.153
bonds (distance) P-C4' energy: -99.373
flat angles C4'-P-C4' energy: -78.093
flat angles P-C4'-P energy: -46.925
tors. eta vs tors. theta energy: -34.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -421.914220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.914220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.914220 (E_RNA)
where:
Base-Base interactions energy: -132.259
where: short stacking energy: -124.142
Base-Backbone interact. energy: -0.717
local terms energy: -288.938485
where:
bonds (distance) C4'-P energy: -79.502
bonds (distance) P-C4' energy: -90.537
flat angles C4'-P-C4' energy: -91.059
flat angles P-C4'-P energy: -47.878
tors. eta vs tors. theta energy: 20.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1843.264012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.264012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.264012 (E_RNA)
where:
Base-Base interactions energy: -1280.285
where: short stacking energy: -532.344
Base-Backbone interact. energy: -3.869
local terms energy: -559.109770
where:
bonds (distance) C4'-P energy: -96.936
bonds (distance) P-C4' energy: -112.024
flat angles C4'-P-C4' energy: -122.519
flat angles P-C4'-P energy: -74.777
tors. eta vs tors. theta energy: -152.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1757.469584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.469584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.469584 (E_RNA)
where:
Base-Base interactions energy: -1206.618
where: short stacking energy: -514.085
Base-Backbone interact. energy: -5.460
local terms energy: -545.391032
where:
bonds (distance) C4'-P energy: -109.797
bonds (distance) P-C4' energy: -104.641
flat angles C4'-P-C4' energy: -108.482
flat angles P-C4'-P energy: -82.221
tors. eta vs tors. theta energy: -140.250
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: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1643.426257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.426257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.426257 (E_RNA)
where:
Base-Base interactions energy: -1137.680
where: short stacking energy: -493.435
Base-Backbone interact. energy: -1.032
local terms energy: -504.714635
where:
bonds (distance) C4'-P energy: -91.527
bonds (distance) P-C4' energy: -101.763
flat angles C4'-P-C4' energy: -117.771
flat angles P-C4'-P energy: -59.516
tors. eta vs tors. theta energy: -134.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1618.185645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.185645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.185645 (E_RNA)
where:
Base-Base interactions energy: -1093.464
where: short stacking energy: -498.416
Base-Backbone interact. energy: -1.027
local terms energy: -523.695224
where:
bonds (distance) C4'-P energy: -92.774
bonds (distance) P-C4' energy: -98.956
flat angles C4'-P-C4' energy: -116.331
flat angles P-C4'-P energy: -77.939
tors. eta vs tors. theta energy: -137.695
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: 2
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1498.301116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.301116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.301116 (E_RNA)
where:
Base-Base interactions energy: -993.338
where: short stacking energy: -445.693
Base-Backbone interact. energy: -0.428
local terms energy: -504.535723
where:
bonds (distance) C4'-P energy: -96.121
bonds (distance) P-C4' energy: -93.362
flat angles C4'-P-C4' energy: -109.682
flat angles P-C4'-P energy: -73.246
tors. eta vs tors. theta energy: -132.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1427.917804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.917804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.917804 (E_RNA)
where:
Base-Base interactions energy: -971.691
where: short stacking energy: -417.328
Base-Backbone interact. energy: 0.818
local terms energy: -457.044329
where:
bonds (distance) C4'-P energy: -92.644
bonds (distance) P-C4' energy: -86.769
flat angles C4'-P-C4' energy: -106.578
flat angles P-C4'-P energy: -65.558
tors. eta vs tors. theta energy: -105.495
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: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1325.906080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.906080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.906080 (E_RNA)
where:
Base-Base interactions energy: -917.395
where: short stacking energy: -384.954
Base-Backbone interact. energy: -2.668
local terms energy: -405.842711
where:
bonds (distance) C4'-P energy: -76.730
bonds (distance) P-C4' energy: -92.151
flat angles C4'-P-C4' energy: -102.914
flat angles P-C4'-P energy: -45.277
tors. eta vs tors. theta energy: -88.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1015.225432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.225432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.225432 (E_RNA)
where:
Base-Base interactions energy: -662.168
where: short stacking energy: -309.990
Base-Backbone interact. energy: 8.725
local terms energy: -361.782045
where:
bonds (distance) C4'-P energy: -89.259
bonds (distance) P-C4' energy: -85.069
flat angles C4'-P-C4' energy: -99.262
flat angles P-C4'-P energy: -40.918
tors. eta vs tors. theta energy: -47.274
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: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -860.486226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.486226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.486226 (E_RNA)
where:
Base-Base interactions energy: -487.365
where: short stacking energy: -221.912
Base-Backbone interact. energy: 2.132
local terms energy: -375.253366
where:
bonds (distance) C4'-P energy: -98.884
bonds (distance) P-C4' energy: -106.751
flat angles C4'-P-C4' energy: -78.946
flat angles P-C4'-P energy: -64.419
tors. eta vs tors. theta energy: -26.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -438.829725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.829725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.829725 (E_RNA)
where:
Base-Base interactions energy: -168.462
where: short stacking energy: -137.448
Base-Backbone interact. energy: -2.754
local terms energy: -267.614349
where:
bonds (distance) C4'-P energy: -89.177
bonds (distance) P-C4' energy: -82.768
flat angles C4'-P-C4' energy: -68.767
flat angles P-C4'-P energy: -35.218
tors. eta vs tors. theta energy: 8.316
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: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1836.953813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.953813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.953813 (E_RNA)
where:
Base-Base interactions energy: -1240.815
where: short stacking energy: -536.341
Base-Backbone interact. energy: -2.252
local terms energy: -593.886790
where:
bonds (distance) C4'-P energy: -104.478
bonds (distance) P-C4' energy: -119.939
flat angles C4'-P-C4' energy: -122.714
flat angles P-C4'-P energy: -89.095
tors. eta vs tors. theta energy: -157.660
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: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1808.038882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.038882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.038882 (E_RNA)
where:
Base-Base interactions energy: -1271.053
where: short stacking energy: -547.093
Base-Backbone interact. energy: -2.084
local terms energy: -534.902341
where:
bonds (distance) C4'-P energy: -95.967
bonds (distance) P-C4' energy: -95.972
flat angles C4'-P-C4' energy: -114.011
flat angles P-C4'-P energy: -85.281
tors. eta vs tors. theta energy: -143.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1617.044551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.044551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.044551 (E_RNA)
where:
Base-Base interactions energy: -1108.663
where: short stacking energy: -457.427
Base-Backbone interact. energy: 0.293
local terms energy: -508.674534
where:
bonds (distance) C4'-P energy: -98.365
bonds (distance) P-C4' energy: -110.949
flat angles C4'-P-C4' energy: -111.383
flat angles P-C4'-P energy: -73.057
tors. eta vs tors. theta energy: -114.921
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: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1612.637340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.637340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.637340 (E_RNA)
where:
Base-Base interactions energy: -1087.649
where: short stacking energy: -475.088
Base-Backbone interact. energy: -3.993
local terms energy: -520.995411
where:
bonds (distance) C4'-P energy: -89.934
bonds (distance) P-C4' energy: -100.894
flat angles C4'-P-C4' energy: -110.033
flat angles P-C4'-P energy: -82.246
tors. eta vs tors. theta energy: -137.888
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: 2
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1473.704678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.704678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.704678 (E_RNA)
where:
Base-Base interactions energy: -995.188
where: short stacking energy: -423.617
Base-Backbone interact. energy: -0.644
local terms energy: -477.872657
where:
bonds (distance) C4'-P energy: -90.330
bonds (distance) P-C4' energy: -103.558
flat angles C4'-P-C4' energy: -100.149
flat angles P-C4'-P energy: -71.666
tors. eta vs tors. theta energy: -112.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1382.295670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.295670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.295670 (E_RNA)
where:
Base-Base interactions energy: -925.906
where: short stacking energy: -391.780
Base-Backbone interact. energy: -1.839
local terms energy: -454.551586
where:
bonds (distance) C4'-P energy: -89.629
bonds (distance) P-C4' energy: -89.137
flat angles C4'-P-C4' energy: -102.753
flat angles P-C4'-P energy: -75.247
tors. eta vs tors. theta energy: -97.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1362.874348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.874348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.874348 (E_RNA)
where:
Base-Base interactions energy: -922.447
where: short stacking energy: -406.600
Base-Backbone interact. energy: 1.303
local terms energy: -441.729618
where:
bonds (distance) C4'-P energy: -101.639
bonds (distance) P-C4' energy: -91.344
flat angles C4'-P-C4' energy: -98.494
flat angles P-C4'-P energy: -47.897
tors. eta vs tors. theta energy: -102.354
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: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1048.941750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.941750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.941750 (E_RNA)
where:
Base-Base interactions energy: -657.772
where: short stacking energy: -282.212
Base-Backbone interact. energy: 4.891
local terms energy: -396.061330
where:
bonds (distance) C4'-P energy: -93.421
bonds (distance) P-C4' energy: -81.194
flat angles C4'-P-C4' energy: -95.656
flat angles P-C4'-P energy: -63.227
tors. eta vs tors. theta energy: -62.564
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: 8
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -864.579454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.579454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.579454 (E_RNA)
where:
Base-Base interactions energy: -504.156
where: short stacking energy: -211.551
Base-Backbone interact. energy: -1.469
local terms energy: -358.955324
where:
bonds (distance) C4'-P energy: -106.819
bonds (distance) P-C4' energy: -78.091
flat angles C4'-P-C4' energy: -86.719
flat angles P-C4'-P energy: -61.053
tors. eta vs tors. theta energy: -26.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -457.451256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.451256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.451256 (E_RNA)
where:
Base-Base interactions energy: -195.497
where: short stacking energy: -127.301
Base-Backbone interact. energy: -2.429
local terms energy: -259.525010
where:
bonds (distance) C4'-P energy: -68.564
bonds (distance) P-C4' energy: -96.992
flat angles C4'-P-C4' energy: -70.171
flat angles P-C4'-P energy: -40.700
tors. eta vs tors. theta energy: 16.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1832.875844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.875844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.875844 (E_RNA)
where:
Base-Base interactions energy: -1258.873
where: short stacking energy: -545.657
Base-Backbone interact. energy: 0.417
local terms energy: -574.419782
where:
bonds (distance) C4'-P energy: -107.958
bonds (distance) P-C4' energy: -114.765
flat angles C4'-P-C4' energy: -124.005
flat angles P-C4'-P energy: -78.020
tors. eta vs tors. theta energy: -149.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1802.624193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.624193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.624193 (E_RNA)
where:
Base-Base interactions energy: -1246.371
where: short stacking energy: -509.924
Base-Backbone interact. energy: -1.505
local terms energy: -554.747717
where:
bonds (distance) C4'-P energy: -93.026
bonds (distance) P-C4' energy: -110.005
flat angles C4'-P-C4' energy: -118.071
flat angles P-C4'-P energy: -80.789
tors. eta vs tors. theta energy: -152.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1640.802008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.802008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.802008 (E_RNA)
where:
Base-Base interactions energy: -1102.618
where: short stacking energy: -461.428
Base-Backbone interact. energy: -1.880
local terms energy: -536.304633
where:
bonds (distance) C4'-P energy: -110.732
bonds (distance) P-C4' energy: -101.965
flat angles C4'-P-C4' energy: -118.075
flat angles P-C4'-P energy: -74.805
tors. eta vs tors. theta energy: -130.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1576.993356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.993356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.993356 (E_RNA)
where:
Base-Base interactions energy: -1058.636
where: short stacking energy: -466.228
Base-Backbone interact. energy: 1.563
local terms energy: -519.920244
where:
bonds (distance) C4'-P energy: -100.905
bonds (distance) P-C4' energy: -103.647
flat angles C4'-P-C4' energy: -107.830
flat angles P-C4'-P energy: -76.145
tors. eta vs tors. theta energy: -131.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1489.616621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.616621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.616621 (E_RNA)
where:
Base-Base interactions energy: -997.296
where: short stacking energy: -443.983
Base-Backbone interact. energy: -2.486
local terms energy: -489.835196
where:
bonds (distance) C4'-P energy: -92.785
bonds (distance) P-C4' energy: -71.916
flat angles C4'-P-C4' energy: -111.695
flat angles P-C4'-P energy: -86.478
tors. eta vs tors. theta energy: -126.961
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: 9
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1421.683670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.683670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.683670 (E_RNA)
where:
Base-Base interactions energy: -951.094
where: short stacking energy: -428.181
Base-Backbone interact. energy: -1.558
local terms energy: -469.031605
where:
bonds (distance) C4'-P energy: -75.142
bonds (distance) P-C4' energy: -105.373
flat angles C4'-P-C4' energy: -99.096
flat angles P-C4'-P energy: -69.336
tors. eta vs tors. theta energy: -120.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1333.895577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.895577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.895577 (E_RNA)
where:
Base-Base interactions energy: -895.555
where: short stacking energy: -372.088
Base-Backbone interact. energy: -0.756
local terms energy: -437.584020
where:
bonds (distance) C4'-P energy: -82.201
bonds (distance) P-C4' energy: -105.921
flat angles C4'-P-C4' energy: -96.954
flat angles P-C4'-P energy: -55.378
tors. eta vs tors. theta energy: -97.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1030.328009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.328009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.328009 (E_RNA)
where:
Base-Base interactions energy: -643.498
where: short stacking energy: -280.723
Base-Backbone interact. energy: -0.143
local terms energy: -386.686978
where:
bonds (distance) C4'-P energy: -92.567
bonds (distance) P-C4' energy: -109.943
flat angles C4'-P-C4' energy: -80.838
flat angles P-C4'-P energy: -63.525
tors. eta vs tors. theta energy: -39.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -858.327364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.327364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.327364 (E_RNA)
where:
Base-Base interactions energy: -536.623
where: short stacking energy: -262.703
Base-Backbone interact. energy: 0.494
local terms energy: -322.197996
where:
bonds (distance) C4'-P energy: -92.516
bonds (distance) P-C4' energy: -78.822
flat angles C4'-P-C4' energy: -90.251
flat angles P-C4'-P energy: -34.516
tors. eta vs tors. theta energy: -26.093
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: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -443.978600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.978600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.978600 (E_RNA)
where:
Base-Base interactions energy: -160.749
where: short stacking energy: -141.152
Base-Backbone interact. energy: -0.738
local terms energy: -282.491945
where:
bonds (distance) C4'-P energy: -77.273
bonds (distance) P-C4' energy: -96.358
flat angles C4'-P-C4' energy: -77.657
flat angles P-C4'-P energy: -41.584
tors. eta vs tors. theta energy: 10.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1798.195559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.195559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.195559 (E_RNA)
where:
Base-Base interactions energy: -1248.725
where: short stacking energy: -527.891
Base-Backbone interact. energy: -1.113
local terms energy: -548.357952
where:
bonds (distance) C4'-P energy: -99.407
bonds (distance) P-C4' energy: -103.649
flat angles C4'-P-C4' energy: -114.226
flat angles P-C4'-P energy: -84.043
tors. eta vs tors. theta energy: -147.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1791.248510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.248510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.248510 (E_RNA)
where:
Base-Base interactions energy: -1226.789
where: short stacking energy: -519.045
Base-Backbone interact. energy: -3.508
local terms energy: -560.952068
where:
bonds (distance) C4'-P energy: -104.936
bonds (distance) P-C4' energy: -108.245
flat angles C4'-P-C4' energy: -122.595
flat angles P-C4'-P energy: -76.365
tors. eta vs tors. theta energy: -148.811
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: 3, replica: 4
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1650.437156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.437156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.437156 (E_RNA)
where:
Base-Base interactions energy: -1138.378
where: short stacking energy: -508.298
Base-Backbone interact. energy: -1.300
local terms energy: -510.758942
where:
bonds (distance) C4'-P energy: -92.550
bonds (distance) P-C4' energy: -96.269
flat angles C4'-P-C4' energy: -107.866
flat angles P-C4'-P energy: -71.876
tors. eta vs tors. theta energy: -142.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1626.986733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.986733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.986733 (E_RNA)
where:
Base-Base interactions energy: -1121.669
where: short stacking energy: -468.971
Base-Backbone interact. energy: -2.137
local terms energy: -503.181440
where:
bonds (distance) C4'-P energy: -97.898
bonds (distance) P-C4' energy: -101.868
flat angles C4'-P-C4' energy: -97.823
flat angles P-C4'-P energy: -73.308
tors. eta vs tors. theta energy: -132.284
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: 2
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1510.808548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.808548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.808548 (E_RNA)
where:
Base-Base interactions energy: -1012.265
where: short stacking energy: -453.515
Base-Backbone interact. energy: -0.657
local terms energy: -497.886832
where:
bonds (distance) C4'-P energy: -81.849
bonds (distance) P-C4' energy: -101.051
flat angles C4'-P-C4' energy: -113.729
flat angles P-C4'-P energy: -72.052
tors. eta vs tors. theta energy: -129.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1372.339434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.339434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.339434 (E_RNA)
where:
Base-Base interactions energy: -922.952
where: short stacking energy: -390.376
Base-Backbone interact. energy: 0.125
local terms energy: -449.512553
where:
bonds (distance) C4'-P energy: -82.225
bonds (distance) P-C4' energy: -100.615
flat angles C4'-P-C4' energy: -111.656
flat angles P-C4'-P energy: -67.564
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: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1333.600821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.600821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.600821 (E_RNA)
where:
Base-Base interactions energy: -886.666
where: short stacking energy: -383.920
Base-Backbone interact. energy: 0.772
local terms energy: -447.707266
where:
bonds (distance) C4'-P energy: -100.574
bonds (distance) P-C4' energy: -109.130
flat angles C4'-P-C4' energy: -94.043
flat angles P-C4'-P energy: -62.056
tors. eta vs tors. theta energy: -81.904
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: 8, replica: 3
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1062.152725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.152725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.152725 (E_RNA)
where:
Base-Base interactions energy: -669.870
where: short stacking energy: -314.051
Base-Backbone interact. energy: -1.417
local terms energy: -390.865158
where:
bonds (distance) C4'-P energy: -87.565
bonds (distance) P-C4' energy: -89.466
flat angles C4'-P-C4' energy: -99.525
flat angles P-C4'-P energy: -52.766
tors. eta vs tors. theta energy: -61.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -893.074829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.074829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.074829 (E_RNA)
where:
Base-Base interactions energy: -535.291
where: short stacking energy: -241.833
Base-Backbone interact. energy: -0.323
local terms energy: -357.460604
where:
bonds (distance) C4'-P energy: -86.876
bonds (distance) P-C4' energy: -88.363
flat angles C4'-P-C4' energy: -84.957
flat angles P-C4'-P energy: -55.390
tors. eta vs tors. theta energy: -41.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -437.236109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.236109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.236109 (E_RNA)
where:
Base-Base interactions energy: -139.997
where: short stacking energy: -122.904
Base-Backbone interact. energy: -0.046
local terms energy: -297.192788
where:
bonds (distance) C4'-P energy: -91.617
bonds (distance) P-C4' energy: -95.084
flat angles C4'-P-C4' energy: -94.862
flat angles P-C4'-P energy: -40.624
tors. eta vs tors. theta energy: 24.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1840.426417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.426417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.426417 (E_RNA)
where:
Base-Base interactions energy: -1279.659
where: short stacking energy: -526.401
Base-Backbone interact. energy: -4.515
local terms energy: -556.252935
where:
bonds (distance) C4'-P energy: -111.400
bonds (distance) P-C4' energy: -98.884
flat angles C4'-P-C4' energy: -120.661
flat angles P-C4'-P energy: -74.454
tors. eta vs tors. theta energy: -150.854
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: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1748.491811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.491811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.491811 (E_RNA)
where:
Base-Base interactions energy: -1184.253
where: short stacking energy: -501.152
Base-Backbone interact. energy: -0.308
local terms energy: -563.930792
where:
bonds (distance) C4'-P energy: -105.328
bonds (distance) P-C4' energy: -109.144
flat angles C4'-P-C4' energy: -117.695
flat angles P-C4'-P energy: -86.550
tors. eta vs tors. theta energy: -145.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1640.784988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.784988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.784988 (E_RNA)
where:
Base-Base interactions energy: -1114.541
where: short stacking energy: -468.835
Base-Backbone interact. energy: -2.989
local terms energy: -523.255004
where:
bonds (distance) C4'-P energy: -88.247
bonds (distance) P-C4' energy: -103.249
flat angles C4'-P-C4' energy: -112.432
flat angles P-C4'-P energy: -86.449
tors. eta vs tors. theta energy: -132.879
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: 295
Temperature: 1.050000
Total energy: -1572.621667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.621667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.621667 (E_RNA)
where:
Base-Base interactions energy: -1072.293
where: short stacking energy: -473.510
Base-Backbone interact. energy: -0.355
local terms energy: -499.973749
where:
bonds (distance) C4'-P energy: -100.089
bonds (distance) P-C4' energy: -89.648
flat angles C4'-P-C4' energy: -107.144
flat angles P-C4'-P energy: -72.861
tors. eta vs tors. theta energy: -130.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1565.663594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.663594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.663594 (E_RNA)
where:
Base-Base interactions energy: -1031.681
where: short stacking energy: -470.632
Base-Backbone interact. energy: -0.911
local terms energy: -533.072100
where:
bonds (distance) C4'-P energy: -96.283
bonds (distance) P-C4' energy: -103.664
flat angles C4'-P-C4' energy: -115.026
flat angles P-C4'-P energy: -77.783
tors. eta vs tors. theta energy: -140.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1385.993598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.993598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.993598 (E_RNA)
where:
Base-Base interactions energy: -883.203
where: short stacking energy: -377.868
Base-Backbone interact. energy: -1.295
local terms energy: -501.495039
where:
bonds (distance) C4'-P energy: -118.157
bonds (distance) P-C4' energy: -103.646
flat angles C4'-P-C4' energy: -112.123
flat angles P-C4'-P energy: -65.790
tors. eta vs tors. theta energy: -101.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1313.204368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.204368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.204368 (E_RNA)
where:
Base-Base interactions energy: -864.383
where: short stacking energy: -371.999
Base-Backbone interact. energy: -0.741
local terms energy: -448.079963
where:
bonds (distance) C4'-P energy: -104.295
bonds (distance) P-C4' energy: -93.812
flat angles C4'-P-C4' energy: -96.343
flat angles P-C4'-P energy: -58.533
tors. eta vs tors. theta energy: -95.097
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: 3
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1074.624806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.624806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.624806 (E_RNA)
where:
Base-Base interactions energy: -687.701
where: short stacking energy: -307.498
Base-Backbone interact. energy: 5.494
local terms energy: -392.417978
where:
bonds (distance) C4'-P energy: -85.540
bonds (distance) P-C4' energy: -102.121
flat angles C4'-P-C4' energy: -86.396
flat angles P-C4'-P energy: -61.931
tors. eta vs tors. theta energy: -56.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -919.891233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.891233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.891233 (E_RNA)
where:
Base-Base interactions energy: -571.547
where: short stacking energy: -266.164
Base-Backbone interact. energy: 6.738
local terms energy: -355.082101
where:
bonds (distance) C4'-P energy: -85.088
bonds (distance) P-C4' energy: -89.487
flat angles C4'-P-C4' energy: -81.892
flat angles P-C4'-P energy: -52.734
tors. eta vs tors. theta energy: -45.881
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: 295
Temperature: 1.350000
Total energy: -418.850680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.850680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.850680 (E_RNA)
where:
Base-Base interactions energy: -142.439
where: short stacking energy: -129.462
Base-Backbone interact. energy: 5.155
local terms energy: -281.566560
where:
bonds (distance) C4'-P energy: -82.823
bonds (distance) P-C4' energy: -92.679
flat angles C4'-P-C4' energy: -82.827
flat angles P-C4'-P energy: -48.158
tors. eta vs tors. theta energy: 24.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1843.981557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.981557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.981557 (E_RNA)
where:
Base-Base interactions energy: -1279.670
where: short stacking energy: -551.492
Base-Backbone interact. energy: -3.107
local terms energy: -561.205076
where:
bonds (distance) C4'-P energy: -107.298
bonds (distance) P-C4' energy: -103.183
flat angles C4'-P-C4' energy: -110.383
flat angles P-C4'-P energy: -77.552
tors. eta vs tors. theta energy: -162.790
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: 2, replica: 7
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1793.505599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.505599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.505599 (E_RNA)
where:
Base-Base interactions energy: -1262.206
where: short stacking energy: -531.104
Base-Backbone interact. energy: -0.524
local terms energy: -530.775190
where:
bonds (distance) C4'-P energy: -111.642
bonds (distance) P-C4' energy: -88.511
flat angles C4'-P-C4' energy: -106.403
flat angles P-C4'-P energy: -75.039
tors. eta vs tors. theta energy: -149.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1651.059952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.059952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.059952 (E_RNA)
where:
Base-Base interactions energy: -1109.365
where: short stacking energy: -477.117
Base-Backbone interact. energy: -2.448
local terms energy: -539.247331
where:
bonds (distance) C4'-P energy: -96.163
bonds (distance) P-C4' energy: -102.362
flat angles C4'-P-C4' energy: -119.324
flat angles P-C4'-P energy: -76.661
tors. eta vs tors. theta energy: -144.738
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: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1583.091169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.091169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.091169 (E_RNA)
where:
Base-Base interactions energy: -1080.738
where: short stacking energy: -487.456
Base-Backbone interact. energy: -4.608
local terms energy: -497.744937
where:
bonds (distance) C4'-P energy: -81.435
bonds (distance) P-C4' energy: -94.804
flat angles C4'-P-C4' energy: -104.456
flat angles P-C4'-P energy: -75.691
tors. eta vs tors. theta energy: -141.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1554.702128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.702128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.702128 (E_RNA)
where:
Base-Base interactions energy: -1043.434
where: short stacking energy: -452.896
Base-Backbone interact. energy: -0.570
local terms energy: -510.697901
where:
bonds (distance) C4'-P energy: -99.136
bonds (distance) P-C4' energy: -97.427
flat angles C4'-P-C4' energy: -107.309
flat angles P-C4'-P energy: -74.143
tors. eta vs tors. theta energy: -132.683
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: 9
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1376.778498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.778498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.778498 (E_RNA)
where:
Base-Base interactions energy: -917.666
where: short stacking energy: -397.986
Base-Backbone interact. energy: 2.263
local terms energy: -461.376009
where:
bonds (distance) C4'-P energy: -106.489
bonds (distance) P-C4' energy: -88.180
flat angles C4'-P-C4' energy: -106.654
flat angles P-C4'-P energy: -55.564
tors. eta vs tors. theta energy: -104.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1337.487278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.487278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.487278 (E_RNA)
where:
Base-Base interactions energy: -899.013
where: short stacking energy: -380.133
Base-Backbone interact. energy: -0.622
local terms energy: -437.851619
where:
bonds (distance) C4'-P energy: -83.897
bonds (distance) P-C4' energy: -92.753
flat angles C4'-P-C4' energy: -111.149
flat angles P-C4'-P energy: -50.500
tors. eta vs tors. theta energy: -99.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1054.802928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.802928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.802928 (E_RNA)
where:
Base-Base interactions energy: -653.393
where: short stacking energy: -318.396
Base-Backbone interact. energy: -1.392
local terms energy: -400.018392
where:
bonds (distance) C4'-P energy: -76.414
bonds (distance) P-C4' energy: -91.187
flat angles C4'-P-C4' energy: -103.292
flat angles P-C4'-P energy: -67.808
tors. eta vs tors. theta energy: -61.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -888.781059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.781059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.781059 (E_RNA)
where:
Base-Base interactions energy: -576.123
where: short stacking energy: -260.408
Base-Backbone interact. energy: -1.574
local terms energy: -311.083781
where:
bonds (distance) C4'-P energy: -78.225
bonds (distance) P-C4' energy: -80.727
flat angles C4'-P-C4' energy: -66.898
flat angles P-C4'-P energy: -49.995
tors. eta vs tors. theta energy: -35.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -415.879525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.879525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.879525 (E_RNA)
where:
Base-Base interactions energy: -120.213
where: short stacking energy: -111.183
Base-Backbone interact. energy: -1.317
local terms energy: -294.349906
where:
bonds (distance) C4'-P energy: -82.531
bonds (distance) P-C4' energy: -104.218
flat angles C4'-P-C4' energy: -87.180
flat angles P-C4'-P energy: -48.566
tors. eta vs tors. theta energy: 28.145
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: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1863.144770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.144770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.144770 (E_RNA)
where:
Base-Base interactions energy: -1285.698
where: short stacking energy: -543.521
Base-Backbone interact. energy: -2.066
local terms energy: -575.380826
where:
bonds (distance) C4'-P energy: -101.206
bonds (distance) P-C4' energy: -115.766
flat angles C4'-P-C4' energy: -125.676
flat angles P-C4'-P energy: -79.179
tors. eta vs tors. theta energy: -153.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1792.418598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.418598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.418598 (E_RNA)
where:
Base-Base interactions energy: -1242.120
where: short stacking energy: -508.069
Base-Backbone interact. energy: -2.640
local terms energy: -547.659003
where:
bonds (distance) C4'-P energy: -94.490
bonds (distance) P-C4' energy: -117.286
flat angles C4'-P-C4' energy: -115.884
flat angles P-C4'-P energy: -73.482
tors. eta vs tors. theta energy: -146.517
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: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1654.344141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.344141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.344141 (E_RNA)
where:
Base-Base interactions energy: -1128.662
where: short stacking energy: -479.223
Base-Backbone interact. energy: -3.380
local terms energy: -522.303015
where:
bonds (distance) C4'-P energy: -104.148
bonds (distance) P-C4' energy: -105.343
flat angles C4'-P-C4' energy: -117.135
flat angles P-C4'-P energy: -68.396
tors. eta vs tors. theta energy: -127.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1589.050779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.050779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.050779 (E_RNA)
where:
Base-Base interactions energy: -1054.474
where: short stacking energy: -482.202
Base-Backbone interact. energy: 0.069
local terms energy: -534.645565
where:
bonds (distance) C4'-P energy: -108.760
bonds (distance) P-C4' energy: -103.169
flat angles C4'-P-C4' energy: -109.361
flat angles P-C4'-P energy: -75.472
tors. eta vs tors. theta energy: -137.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1570.286001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.286001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.286001 (E_RNA)
where:
Base-Base interactions energy: -1024.244
where: short stacking energy: -469.268
Base-Backbone interact. energy: -2.435
local terms energy: -543.607568
where:
bonds (distance) C4'-P energy: -91.069
bonds (distance) P-C4' energy: -104.100
flat angles C4'-P-C4' energy: -118.397
flat angles P-C4'-P energy: -90.439
tors. eta vs tors. theta energy: -139.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1342.764377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.764377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.764377 (E_RNA)
where:
Base-Base interactions energy: -904.458
where: short stacking energy: -381.052
Base-Backbone interact. energy: 0.346
local terms energy: -438.652733
where:
bonds (distance) C4'-P energy: -86.674
bonds (distance) P-C4' energy: -96.461
flat angles C4'-P-C4' energy: -84.411
flat angles P-C4'-P energy: -72.632
tors. eta vs tors. theta energy: -98.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1394.191948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.191948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.191948 (E_RNA)
where:
Base-Base interactions energy: -933.623
where: short stacking energy: -387.345
Base-Backbone interact. energy: -2.399
local terms energy: -458.168989
where:
bonds (distance) C4'-P energy: -97.608
bonds (distance) P-C4' energy: -99.358
flat angles C4'-P-C4' energy: -107.448
flat angles P-C4'-P energy: -57.550
tors. eta vs tors. theta energy: -96.205
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: 8, replica: 3
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1007.462534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.462534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.462534 (E_RNA)
where:
Base-Base interactions energy: -625.588
where: short stacking energy: -297.246
Base-Backbone interact. energy: -1.895
local terms energy: -379.978905
where:
bonds (distance) C4'-P energy: -77.957
bonds (distance) P-C4' energy: -99.927
flat angles C4'-P-C4' energy: -94.994
flat angles P-C4'-P energy: -57.794
tors. eta vs tors. theta energy: -49.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -919.999608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.999608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.999608 (E_RNA)
where:
Base-Base interactions energy: -578.418
where: short stacking energy: -271.862
Base-Backbone interact. energy: -1.775
local terms energy: -339.806502
where:
bonds (distance) C4'-P energy: -76.749
bonds (distance) P-C4' energy: -91.823
flat angles C4'-P-C4' energy: -79.367
flat angles P-C4'-P energy: -44.817
tors. eta vs tors. theta energy: -47.050
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: 297
Temperature: 1.350000
Total energy: -431.083550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.083550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.083550 (E_RNA)
where:
Base-Base interactions energy: -154.593
where: short stacking energy: -112.081
Base-Backbone interact. energy: -0.538
local terms energy: -275.953279
where:
bonds (distance) C4'-P energy: -81.790
bonds (distance) P-C4' energy: -97.597
flat angles C4'-P-C4' energy: -76.186
flat angles P-C4'-P energy: -47.608
tors. eta vs tors. theta energy: 27.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1816.695115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.695115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.695115 (E_RNA)
where:
Base-Base interactions energy: -1271.653
where: short stacking energy: -540.371
Base-Backbone interact. energy: -1.404
local terms energy: -543.638471
where:
bonds (distance) C4'-P energy: -97.141
bonds (distance) P-C4' energy: -95.946
flat angles C4'-P-C4' energy: -118.578
flat angles P-C4'-P energy: -79.979
tors. eta vs tors. theta energy: -151.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1810.449466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.449466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.449466 (E_RNA)
where:
Base-Base interactions energy: -1237.482
where: short stacking energy: -515.935
Base-Backbone interact. energy: -2.295
local terms energy: -570.672455
where:
bonds (distance) C4'-P energy: -102.840
bonds (distance) P-C4' energy: -112.550
flat angles C4'-P-C4' energy: -122.056
flat angles P-C4'-P energy: -82.015
tors. eta vs tors. theta energy: -151.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1666.455095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.455095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.455095 (E_RNA)
where:
Base-Base interactions energy: -1128.327
where: short stacking energy: -475.865
Base-Backbone interact. energy: -0.268
local terms energy: -537.860196
where:
bonds (distance) C4'-P energy: -102.474
bonds (distance) P-C4' energy: -109.387
flat angles C4'-P-C4' energy: -101.191
flat angles P-C4'-P energy: -78.743
tors. eta vs tors. theta energy: -146.065
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: 298
Temperature: 1.050000
Total energy: -1558.273762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.273762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.273762 (E_RNA)
where:
Base-Base interactions energy: -1037.998
where: short stacking energy: -461.394
Base-Backbone interact. energy: -0.421
local terms energy: -519.854696
where:
bonds (distance) C4'-P energy: -110.989
bonds (distance) P-C4' energy: -94.584
flat angles C4'-P-C4' energy: -111.201
flat angles P-C4'-P energy: -81.384
tors. eta vs tors. theta energy: -121.697
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: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1542.713139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.713139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.713139 (E_RNA)
where:
Base-Base interactions energy: -1029.493
where: short stacking energy: -462.316
Base-Backbone interact. energy: -1.720
local terms energy: -511.499887
where:
bonds (distance) C4'-P energy: -107.579
bonds (distance) P-C4' energy: -95.467
flat angles C4'-P-C4' energy: -117.565
flat angles P-C4'-P energy: -63.681
tors. eta vs tors. theta energy: -127.207
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: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1404.470441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.470441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.470441 (E_RNA)
where:
Base-Base interactions energy: -946.956
where: short stacking energy: -410.867
Base-Backbone interact. energy: 1.049
local terms energy: -458.563291
where:
bonds (distance) C4'-P energy: -78.000
bonds (distance) P-C4' energy: -97.477
flat angles C4'-P-C4' energy: -101.314
flat angles P-C4'-P energy: -73.328
tors. eta vs tors. theta energy: -108.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1331.391387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.391387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.391387 (E_RNA)
where:
Base-Base interactions energy: -877.830
where: short stacking energy: -338.497
Base-Backbone interact. energy: -2.855
local terms energy: -450.705725
where:
bonds (distance) C4'-P energy: -90.021
bonds (distance) P-C4' energy: -95.271
flat angles C4'-P-C4' energy: -108.284
flat angles P-C4'-P energy: -73.215
tors. eta vs tors. theta energy: -83.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -990.172367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.172367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.172367 (E_RNA)
where:
Base-Base interactions energy: -604.398
where: short stacking energy: -277.601
Base-Backbone interact. energy: -1.777
local terms energy: -383.997804
where:
bonds (distance) C4'-P energy: -98.114
bonds (distance) P-C4' energy: -94.444
flat angles C4'-P-C4' energy: -88.955
flat angles P-C4'-P energy: -54.627
tors. eta vs tors. theta energy: -47.858
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: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -882.300215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.300215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.300215 (E_RNA)
where:
Base-Base interactions energy: -530.380
where: short stacking energy: -265.383
Base-Backbone interact. energy: -1.685
local terms energy: -350.234886
where:
bonds (distance) C4'-P energy: -90.948
bonds (distance) P-C4' energy: -82.085
flat angles C4'-P-C4' energy: -96.577
flat angles P-C4'-P energy: -36.250
tors. eta vs tors. theta energy: -44.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -399.963465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.963465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.963465 (E_RNA)
where:
Base-Base interactions energy: -156.805
where: short stacking energy: -115.921
Base-Backbone interact. energy: -1.591
local terms energy: -241.567743
where:
bonds (distance) C4'-P energy: -84.316
bonds (distance) P-C4' energy: -107.342
flat angles C4'-P-C4' energy: -42.336
flat angles P-C4'-P energy: -29.211
tors. eta vs tors. theta energy: 21.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1835.363016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.363016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.363016 (E_RNA)
where:
Base-Base interactions energy: -1260.522
where: short stacking energy: -521.423
Base-Backbone interact. energy: -1.212
local terms energy: -573.628908
where:
bonds (distance) C4'-P energy: -111.063
bonds (distance) P-C4' energy: -114.694
flat angles C4'-P-C4' energy: -120.390
flat angles P-C4'-P energy: -79.935
tors. eta vs tors. theta energy: -147.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1829.100138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.100138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.100138 (E_RNA)
where:
Base-Base interactions energy: -1270.402
where: short stacking energy: -511.090
Base-Backbone interact. energy: -5.339
local terms energy: -553.359068
where:
bonds (distance) C4'-P energy: -105.095
bonds (distance) P-C4' energy: -103.546
flat angles C4'-P-C4' energy: -113.320
flat angles P-C4'-P energy: -80.060
tors. eta vs tors. theta energy: -151.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1662.036108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.036108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.036108 (E_RNA)
where:
Base-Base interactions energy: -1108.098
where: short stacking energy: -475.797
Base-Backbone interact. energy: -3.979
local terms energy: -549.959108
where:
bonds (distance) C4'-P energy: -106.992
bonds (distance) P-C4' energy: -102.965
flat angles C4'-P-C4' energy: -117.587
flat angles P-C4'-P energy: -80.625
tors. eta vs tors. theta energy: -141.789
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: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1571.397388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.397388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.397388 (E_RNA)
where:
Base-Base interactions energy: -1051.572
where: short stacking energy: -475.961
Base-Backbone interact. energy: -0.702
local terms energy: -519.124055
where:
bonds (distance) C4'-P energy: -102.656
bonds (distance) P-C4' energy: -109.720
flat angles C4'-P-C4' energy: -106.197
flat angles P-C4'-P energy: -63.541
tors. eta vs tors. theta energy: -137.010
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: 5, replica: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1537.341291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.341291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.341291 (E_RNA)
where:
Base-Base interactions energy: -1045.107
where: short stacking energy: -447.504
Base-Backbone interact. energy: 1.488
local terms energy: -493.722266
where:
bonds (distance) C4'-P energy: -84.263
bonds (distance) P-C4' energy: -102.045
flat angles C4'-P-C4' energy: -109.192
flat angles P-C4'-P energy: -70.300
tors. eta vs tors. theta energy: -127.921
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: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1396.793182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.793182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.793182 (E_RNA)
where:
Base-Base interactions energy: -911.297
where: short stacking energy: -406.304
Base-Backbone interact. energy: -0.637
local terms energy: -484.858984
where:
bonds (distance) C4'-P energy: -102.751
bonds (distance) P-C4' energy: -92.875
flat angles C4'-P-C4' energy: -107.712
flat angles P-C4'-P energy: -67.986
tors. eta vs tors. theta energy: -113.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1346.755295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.755295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.755295 (E_RNA)
where:
Base-Base interactions energy: -871.717
where: short stacking energy: -367.046
Base-Backbone interact. energy: -0.906
local terms energy: -474.131668
where:
bonds (distance) C4'-P energy: -101.272
bonds (distance) P-C4' energy: -104.305
flat angles C4'-P-C4' energy: -112.935
flat angles P-C4'-P energy: -70.148
tors. eta vs tors. theta energy: -85.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -977.670036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.670036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.670036 (E_RNA)
where:
Base-Base interactions energy: -586.045
where: short stacking energy: -280.372
Base-Backbone interact. energy: -0.587
local terms energy: -391.038205
where:
bonds (distance) C4'-P energy: -99.107
bonds (distance) P-C4' energy: -78.809
flat angles C4'-P-C4' energy: -91.914
flat angles P-C4'-P energy: -69.178
tors. eta vs tors. theta energy: -52.031
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: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -897.631589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.631589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.631589 (E_RNA)
where:
Base-Base interactions energy: -524.341
where: short stacking energy: -278.405
Base-Backbone interact. energy: 4.701
local terms energy: -377.991601
where:
bonds (distance) C4'-P energy: -95.393
bonds (distance) P-C4' energy: -106.627
flat angles C4'-P-C4' energy: -77.502
flat angles P-C4'-P energy: -55.038
tors. eta vs tors. theta energy: -43.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -481.899883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.899883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.899883 (E_RNA)
where:
Base-Base interactions energy: -204.452
where: short stacking energy: -121.897
Base-Backbone interact. energy: 1.486
local terms energy: -278.933935
where:
bonds (distance) C4'-P energy: -83.594
bonds (distance) P-C4' energy: -104.595
flat angles C4'-P-C4' energy: -67.501
flat angles P-C4'-P energy: -39.737
tors. eta vs tors. theta energy: 16.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1812.592321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.592321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.592321 (E_RNA)
where:
Base-Base interactions energy: -1249.728
where: short stacking energy: -513.845
Base-Backbone interact. energy: -3.344
local terms energy: -559.520607
where:
bonds (distance) C4'-P energy: -97.869
bonds (distance) P-C4' energy: -109.301
flat angles C4'-P-C4' energy: -116.070
flat angles P-C4'-P energy: -91.320
tors. eta vs tors. theta energy: -144.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1838.781137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.781137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.781137 (E_RNA)
where:
Base-Base interactions energy: -1270.777
where: short stacking energy: -499.876
Base-Backbone interact. energy: -1.126
local terms energy: -566.877871
where:
bonds (distance) C4'-P energy: -115.373
bonds (distance) P-C4' energy: -107.467
flat angles C4'-P-C4' energy: -124.138
flat angles P-C4'-P energy: -81.980
tors. eta vs tors. theta energy: -137.919
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: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1657.877880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.877880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.877880 (E_RNA)
where:
Base-Base interactions energy: -1146.545
where: short stacking energy: -488.891
Base-Backbone interact. energy: -4.148
local terms energy: -507.185192
where:
bonds (distance) C4'-P energy: -85.301
bonds (distance) P-C4' energy: -102.075
flat angles C4'-P-C4' energy: -112.429
flat angles P-C4'-P energy: -70.599
tors. eta vs tors. theta energy: -136.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1595.155579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.155579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.155579 (E_RNA)
where:
Base-Base interactions energy: -1053.370
where: short stacking energy: -487.880
Base-Backbone interact. energy: -2.159
local terms energy: -539.626574
where:
bonds (distance) C4'-P energy: -102.493
bonds (distance) P-C4' energy: -102.547
flat angles C4'-P-C4' energy: -118.547
flat angles P-C4'-P energy: -79.698
tors. eta vs tors. theta energy: -136.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1563.513702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.513702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.513702 (E_RNA)
where:
Base-Base interactions energy: -1062.323
where: short stacking energy: -436.053
Base-Backbone interact. energy: -2.113
local terms energy: -499.077186
where:
bonds (distance) C4'-P energy: -100.448
bonds (distance) P-C4' energy: -103.211
flat angles C4'-P-C4' energy: -112.367
flat angles P-C4'-P energy: -55.180
tors. eta vs tors. theta energy: -127.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1417.503605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.503605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.503605 (E_RNA)
where:
Base-Base interactions energy: -953.031
where: short stacking energy: -399.450
Base-Backbone interact. energy: -2.264
local terms energy: -462.208350
where:
bonds (distance) C4'-P energy: -96.504
bonds (distance) P-C4' energy: -91.768
flat angles C4'-P-C4' energy: -113.134
flat angles P-C4'-P energy: -66.587
tors. eta vs tors. theta energy: -94.216
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: 300
Temperature: 1.200000
Total energy: -1343.666952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.666952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.666952 (E_RNA)
where:
Base-Base interactions energy: -916.835
where: short stacking energy: -390.953
Base-Backbone interact. energy: -0.385
local terms energy: -426.447073
where:
bonds (distance) C4'-P energy: -85.554
bonds (distance) P-C4' energy: -96.755
flat angles C4'-P-C4' energy: -86.985
flat angles P-C4'-P energy: -69.899
tors. eta vs tors. theta energy: -87.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -985.970985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.970985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.970985 (E_RNA)
where:
Base-Base interactions energy: -589.107
where: short stacking energy: -271.046
Base-Backbone interact. energy: -1.877
local terms energy: -394.986904
where:
bonds (distance) C4'-P energy: -79.437
bonds (distance) P-C4' energy: -113.342
flat angles C4'-P-C4' energy: -96.313
flat angles P-C4'-P energy: -51.744
tors. eta vs tors. theta energy: -54.152
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: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -815.426643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.426643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.426643 (E_RNA)
where:
Base-Base interactions energy: -468.326
where: short stacking energy: -220.258
Base-Backbone interact. energy: -1.637
local terms energy: -345.463976
where:
bonds (distance) C4'-P energy: -93.365
bonds (distance) P-C4' energy: -85.962
flat angles C4'-P-C4' energy: -78.128
flat angles P-C4'-P energy: -58.158
tors. eta vs tors. theta energy: -29.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -455.623317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.623317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.623317 (E_RNA)
where:
Base-Base interactions energy: -183.402
where: short stacking energy: -122.151
Base-Backbone interact. energy: 6.693
local terms energy: -278.914519
where:
bonds (distance) C4'-P energy: -80.445
bonds (distance) P-C4' energy: -74.346
flat angles C4'-P-C4' energy: -89.315
flat angles P-C4'-P energy: -34.951
tors. eta vs tors. theta energy: 0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1845.834013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.834013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.834013 (E_RNA)
where:
Base-Base interactions energy: -1296.772
where: short stacking energy: -543.156
Base-Backbone interact. energy: 0.686
local terms energy: -549.748320
where:
bonds (distance) C4'-P energy: -99.677
bonds (distance) P-C4' energy: -100.214
flat angles C4'-P-C4' energy: -117.513
flat angles P-C4'-P energy: -81.545
tors. eta vs tors. theta energy: -150.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1793.130502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.130502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.130502 (E_RNA)
where:
Base-Base interactions energy: -1259.118
where: short stacking energy: -532.324
Base-Backbone interact. energy: -1.628
local terms energy: -532.384888
where:
bonds (distance) C4'-P energy: -96.279
bonds (distance) P-C4' energy: -101.450
flat angles C4'-P-C4' energy: -113.957
flat angles P-C4'-P energy: -76.946
tors. eta vs tors. theta energy: -143.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1680.618654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.618654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.618654 (E_RNA)
where:
Base-Base interactions energy: -1157.812
where: short stacking energy: -500.886
Base-Backbone interact. energy: -3.267
local terms energy: -519.539606
where:
bonds (distance) C4'-P energy: -97.170
bonds (distance) P-C4' energy: -96.091
flat angles C4'-P-C4' energy: -117.543
flat angles P-C4'-P energy: -68.976
tors. eta vs tors. theta energy: -139.759
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: 301
Temperature: 1.050000
Total energy: -1628.708197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.708197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.708197 (E_RNA)
where:
Base-Base interactions energy: -1080.670
where: short stacking energy: -497.815
Base-Backbone interact. energy: -2.357
local terms energy: -545.681378
where:
bonds (distance) C4'-P energy: -101.174
bonds (distance) P-C4' energy: -103.595
flat angles C4'-P-C4' energy: -122.171
flat angles P-C4'-P energy: -77.080
tors. eta vs tors. theta energy: -141.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1556.520878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.520878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.520878 (E_RNA)
where:
Base-Base interactions energy: -1063.718
where: short stacking energy: -457.908
Base-Backbone interact. energy: 2.751
local terms energy: -495.553597
where:
bonds (distance) C4'-P energy: -90.815
bonds (distance) P-C4' energy: -101.704
flat angles C4'-P-C4' energy: -105.210
flat angles P-C4'-P energy: -76.278
tors. eta vs tors. theta energy: -121.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1385.798026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.798026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.798026 (E_RNA)
where:
Base-Base interactions energy: -911.755
where: short stacking energy: -395.166
Base-Backbone interact. energy: 3.456
local terms energy: -477.499284
where:
bonds (distance) C4'-P energy: -102.252
bonds (distance) P-C4' energy: -90.369
flat angles C4'-P-C4' energy: -101.541
flat angles P-C4'-P energy: -80.535
tors. eta vs tors. theta energy: -102.803
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: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1358.108434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.108434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.108434 (E_RNA)
where:
Base-Base interactions energy: -889.887
where: short stacking energy: -374.534
Base-Backbone interact. energy: 2.427
local terms energy: -470.648775
where:
bonds (distance) C4'-P energy: -112.736
bonds (distance) P-C4' energy: -86.885
flat angles C4'-P-C4' energy: -101.986
flat angles P-C4'-P energy: -66.269
tors. eta vs tors. theta energy: -102.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1050.151297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.151297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.151297 (E_RNA)
where:
Base-Base interactions energy: -670.413
where: short stacking energy: -306.455
Base-Backbone interact. energy: -3.214
local terms energy: -376.524522
where:
bonds (distance) C4'-P energy: -94.902
bonds (distance) P-C4' energy: -92.667
flat angles C4'-P-C4' energy: -87.776
flat angles P-C4'-P energy: -49.831
tors. eta vs tors. theta energy: -51.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -778.727827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.727827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.727827 (E_RNA)
where:
Base-Base interactions energy: -475.929
where: short stacking energy: -221.121
Base-Backbone interact. energy: 1.584
local terms energy: -304.382384
where:
bonds (distance) C4'-P energy: -86.016
bonds (distance) P-C4' energy: -79.484
flat angles C4'-P-C4' energy: -79.881
flat angles P-C4'-P energy: -43.962
tors. eta vs tors. theta energy: -15.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -497.260798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.260798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.260798 (E_RNA)
where:
Base-Base interactions energy: -195.887
where: short stacking energy: -117.495
Base-Backbone interact. energy: 3.742
local terms energy: -305.115807
where:
bonds (distance) C4'-P energy: -92.997
bonds (distance) P-C4' energy: -103.347
flat angles C4'-P-C4' energy: -77.656
flat angles P-C4'-P energy: -45.129
tors. eta vs tors. theta energy: 14.013
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: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1854.189163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.189163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.189163 (E_RNA)
where:
Base-Base interactions energy: -1280.684
where: short stacking energy: -534.565
Base-Backbone interact. energy: -3.988
local terms energy: -569.517445
where:
bonds (distance) C4'-P energy: -110.165
bonds (distance) P-C4' energy: -104.690
flat angles C4'-P-C4' energy: -127.446
flat angles P-C4'-P energy: -77.099
tors. eta vs tors. theta energy: -150.116
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: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1825.874273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.874273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.874273 (E_RNA)
where:
Base-Base interactions energy: -1269.277
where: short stacking energy: -506.717
Base-Backbone interact. energy: -3.500
local terms energy: -553.097515
where:
bonds (distance) C4'-P energy: -101.911
bonds (distance) P-C4' energy: -117.259
flat angles C4'-P-C4' energy: -112.748
flat angles P-C4'-P energy: -72.447
tors. eta vs tors. theta energy: -148.733
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: 5
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1676.595995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.595995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.595995 (E_RNA)
where:
Base-Base interactions energy: -1145.732
where: short stacking energy: -502.998
Base-Backbone interact. energy: 5.554
local terms energy: -536.417548
where:
bonds (distance) C4'-P energy: -95.934
bonds (distance) P-C4' energy: -95.101
flat angles C4'-P-C4' energy: -121.108
flat angles P-C4'-P energy: -86.320
tors. eta vs tors. theta energy: -137.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1599.457555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.457555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.457555 (E_RNA)
where:
Base-Base interactions energy: -1084.158
where: short stacking energy: -460.172
Base-Backbone interact. energy: 0.831
local terms energy: -516.130354
where:
bonds (distance) C4'-P energy: -94.795
bonds (distance) P-C4' energy: -105.355
flat angles C4'-P-C4' energy: -110.086
flat angles P-C4'-P energy: -82.321
tors. eta vs tors. theta energy: -123.573
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: 2
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1534.976529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.976529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.976529 (E_RNA)
where:
Base-Base interactions energy: -1040.527
where: short stacking energy: -457.094
Base-Backbone interact. energy: -2.290
local terms energy: -492.160089
where:
bonds (distance) C4'-P energy: -80.097
bonds (distance) P-C4' energy: -95.199
flat angles C4'-P-C4' energy: -115.132
flat angles P-C4'-P energy: -75.236
tors. eta vs tors. theta energy: -126.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1382.714520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.714520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.714520 (E_RNA)
where:
Base-Base interactions energy: -926.997
where: short stacking energy: -399.507
Base-Backbone interact. energy: -1.987
local terms energy: -453.730377
where:
bonds (distance) C4'-P energy: -70.283
bonds (distance) P-C4' energy: -116.224
flat angles C4'-P-C4' energy: -92.215
flat angles P-C4'-P energy: -72.220
tors. eta vs tors. theta energy: -102.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1346.523498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.523498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.523498 (E_RNA)
where:
Base-Base interactions energy: -910.282
where: short stacking energy: -384.328
Base-Backbone interact. energy: -1.742
local terms energy: -434.499603
where:
bonds (distance) C4'-P energy: -88.517
bonds (distance) P-C4' energy: -106.628
flat angles C4'-P-C4' energy: -92.251
flat angles P-C4'-P energy: -52.610
tors. eta vs tors. theta energy: -94.494
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: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1041.933238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.933238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.933238 (E_RNA)
where:
Base-Base interactions energy: -650.248
where: short stacking energy: -302.436
Base-Backbone interact. energy: -1.874
local terms energy: -389.811613
where:
bonds (distance) C4'-P energy: -79.654
bonds (distance) P-C4' energy: -97.528
flat angles C4'-P-C4' energy: -92.213
flat angles P-C4'-P energy: -65.023
tors. eta vs tors. theta energy: -55.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -748.346785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.346785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.346785 (E_RNA)
where:
Base-Base interactions energy: -392.942
where: short stacking energy: -210.472
Base-Backbone interact. energy: 4.396
local terms energy: -359.800947
where:
bonds (distance) C4'-P energy: -82.084
bonds (distance) P-C4' energy: -98.217
flat angles C4'-P-C4' energy: -92.109
flat angles P-C4'-P energy: -59.773
tors. eta vs tors. theta energy: -27.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -505.133987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.133987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.133987 (E_RNA)
where:
Base-Base interactions energy: -204.494
where: short stacking energy: -134.766
Base-Backbone interact. energy: -0.638
local terms energy: -300.002362
where:
bonds (distance) C4'-P energy: -88.353
bonds (distance) P-C4' energy: -82.884
flat angles C4'-P-C4' energy: -69.726
flat angles P-C4'-P energy: -52.674
tors. eta vs tors. theta energy: -6.365
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: 7
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1886.295006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.295006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.295006 (E_RNA)
where:
Base-Base interactions energy: -1315.006
where: short stacking energy: -553.410
Base-Backbone interact. energy: -2.730
local terms energy: -568.559093
where:
bonds (distance) C4'-P energy: -102.627
bonds (distance) P-C4' energy: -106.304
flat angles C4'-P-C4' energy: -120.094
flat angles P-C4'-P energy: -81.469
tors. eta vs tors. theta energy: -158.066
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: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1821.806226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.806226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.806226 (E_RNA)
where:
Base-Base interactions energy: -1254.607
where: short stacking energy: -521.912
Base-Backbone interact. energy: -0.413
local terms energy: -566.785961
where:
bonds (distance) C4'-P energy: -104.007
bonds (distance) P-C4' energy: -115.934
flat angles C4'-P-C4' energy: -131.952
flat angles P-C4'-P energy: -70.555
tors. eta vs tors. theta energy: -144.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1701.655324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.655324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.655324 (E_RNA)
where:
Base-Base interactions energy: -1144.324
where: short stacking energy: -489.289
Base-Backbone interact. energy: 3.026
local terms energy: -560.357868
where:
bonds (distance) C4'-P energy: -106.718
bonds (distance) P-C4' energy: -108.217
flat angles C4'-P-C4' energy: -122.475
flat angles P-C4'-P energy: -86.028
tors. eta vs tors. theta energy: -136.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1562.598418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.598418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.598418 (E_RNA)
where:
Base-Base interactions energy: -1057.460
where: short stacking energy: -443.025
Base-Backbone interact. energy: -3.885
local terms energy: -501.253302
where:
bonds (distance) C4'-P energy: -92.483
bonds (distance) P-C4' energy: -111.222
flat angles C4'-P-C4' energy: -109.639
flat angles P-C4'-P energy: -68.502
tors. eta vs tors. theta energy: -119.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1470.669015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.669015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.669015 (E_RNA)
where:
Base-Base interactions energy: -986.641
where: short stacking energy: -415.621
Base-Backbone interact. energy: -0.508
local terms energy: -483.519597
where:
bonds (distance) C4'-P energy: -99.592
bonds (distance) P-C4' energy: -108.433
flat angles C4'-P-C4' energy: -107.174
flat angles P-C4'-P energy: -56.290
tors. eta vs tors. theta energy: -112.030
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: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1404.727076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.727076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.727076 (E_RNA)
where:
Base-Base interactions energy: -909.781
where: short stacking energy: -400.498
Base-Backbone interact. energy: -1.722
local terms energy: -493.223961
where:
bonds (distance) C4'-P energy: -100.090
bonds (distance) P-C4' energy: -98.237
flat angles C4'-P-C4' energy: -103.989
flat angles P-C4'-P energy: -74.035
tors. eta vs tors. theta energy: -116.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1398.230211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.230211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.230211 (E_RNA)
where:
Base-Base interactions energy: -937.150
where: short stacking energy: -409.013
Base-Backbone interact. energy: -2.480
local terms energy: -458.600127
where:
bonds (distance) C4'-P energy: -96.695
bonds (distance) P-C4' energy: -103.230
flat angles C4'-P-C4' energy: -84.544
flat angles P-C4'-P energy: -65.680
tors. eta vs tors. theta energy: -108.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1043.982197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.982197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.982197 (E_RNA)
where:
Base-Base interactions energy: -645.811
where: short stacking energy: -282.367
Base-Backbone interact. energy: -2.461
local terms energy: -395.710694
where:
bonds (distance) C4'-P energy: -81.978
bonds (distance) P-C4' energy: -79.858
flat angles C4'-P-C4' energy: -105.890
flat angles P-C4'-P energy: -61.787
tors. eta vs tors. theta energy: -66.198
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: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -813.058720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.058720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.058720 (E_RNA)
where:
Base-Base interactions energy: -455.071
where: short stacking energy: -252.883
Base-Backbone interact. energy: 3.907
local terms energy: -361.894279
where:
bonds (distance) C4'-P energy: -73.616
bonds (distance) P-C4' energy: -93.033
flat angles C4'-P-C4' energy: -90.555
flat angles P-C4'-P energy: -49.445
tors. eta vs tors. theta energy: -55.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -540.086252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.086252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.086252 (E_RNA)
where:
Base-Base interactions energy: -278.390
where: short stacking energy: -152.627
Base-Backbone interact. energy: -0.812
local terms energy: -260.884224
where:
bonds (distance) C4'-P energy: -91.027
bonds (distance) P-C4' energy: -83.502
flat angles C4'-P-C4' energy: -54.693
flat angles P-C4'-P energy: -45.736
tors. eta vs tors. theta energy: 14.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1833.109019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.109019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.109019 (E_RNA)
where:
Base-Base interactions energy: -1255.725
where: short stacking energy: -518.278
Base-Backbone interact. energy: -1.484
local terms energy: -575.900662
where:
bonds (distance) C4'-P energy: -111.017
bonds (distance) P-C4' energy: -116.174
flat angles C4'-P-C4' energy: -131.263
flat angles P-C4'-P energy: -68.539
tors. eta vs tors. theta energy: -148.907
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: 7
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1818.282818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.282818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.282818 (E_RNA)
where:
Base-Base interactions energy: -1252.469
where: short stacking energy: -545.757
Base-Backbone interact. energy: -3.134
local terms energy: -562.680130
where:
bonds (distance) C4'-P energy: -100.458
bonds (distance) P-C4' energy: -99.955
flat angles C4'-P-C4' energy: -126.596
flat angles P-C4'-P energy: -80.237
tors. eta vs tors. theta energy: -155.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1694.265279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.265279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.265279 (E_RNA)
where:
Base-Base interactions energy: -1140.694
where: short stacking energy: -503.993
Base-Backbone interact. energy: -0.029
local terms energy: -553.541411
where:
bonds (distance) C4'-P energy: -112.894
bonds (distance) P-C4' energy: -95.692
flat angles C4'-P-C4' energy: -126.377
flat angles P-C4'-P energy: -78.215
tors. eta vs tors. theta energy: -140.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1596.061175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.061175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.061175 (E_RNA)
where:
Base-Base interactions energy: -1077.730
where: short stacking energy: -466.551
Base-Backbone interact. energy: -1.703
local terms energy: -516.628820
where:
bonds (distance) C4'-P energy: -100.715
bonds (distance) P-C4' energy: -92.702
flat angles C4'-P-C4' energy: -125.032
flat angles P-C4'-P energy: -63.253
tors. eta vs tors. theta energy: -134.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1481.842567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.842567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.842567 (E_RNA)
where:
Base-Base interactions energy: -1011.173
where: short stacking energy: -433.470
Base-Backbone interact. energy: -4.427
local terms energy: -466.242876
where:
bonds (distance) C4'-P energy: -95.888
bonds (distance) P-C4' energy: -106.918
flat angles C4'-P-C4' energy: -88.495
flat angles P-C4'-P energy: -62.300
tors. eta vs tors. theta energy: -112.641
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: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1435.693043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.693043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.693043 (E_RNA)
where:
Base-Base interactions energy: -960.619
where: short stacking energy: -436.416
Base-Backbone interact. energy: -2.580
local terms energy: -472.494072
where:
bonds (distance) C4'-P energy: -92.091
bonds (distance) P-C4' energy: -102.138
flat angles C4'-P-C4' energy: -104.084
flat angles P-C4'-P energy: -64.240
tors. eta vs tors. theta energy: -109.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1312.157270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.157270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.157270 (E_RNA)
where:
Base-Base interactions energy: -872.949
where: short stacking energy: -373.067
Base-Backbone interact. energy: -0.177
local terms energy: -439.031758
where:
bonds (distance) C4'-P energy: -98.886
bonds (distance) P-C4' energy: -98.063
flat angles C4'-P-C4' energy: -98.543
flat angles P-C4'-P energy: -72.756
tors. eta vs tors. theta energy: -70.783
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: 3
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1016.053614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.053614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.053614 (E_RNA)
where:
Base-Base interactions energy: -630.194
where: short stacking energy: -308.279
Base-Backbone interact. energy: -1.068
local terms energy: -384.792041
where:
bonds (distance) C4'-P energy: -89.700
bonds (distance) P-C4' energy: -97.987
flat angles C4'-P-C4' energy: -78.018
flat angles P-C4'-P energy: -64.321
tors. eta vs tors. theta energy: -54.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -782.257898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.257898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.257898 (E_RNA)
where:
Base-Base interactions energy: -456.632
where: short stacking energy: -212.534
Base-Backbone interact. energy: -2.526
local terms energy: -323.100273
where:
bonds (distance) C4'-P energy: -94.816
bonds (distance) P-C4' energy: -83.409
flat angles C4'-P-C4' energy: -74.641
flat angles P-C4'-P energy: -49.853
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -555.823400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.823400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.823400 (E_RNA)
where:
Base-Base interactions energy: -236.935
where: short stacking energy: -153.707
Base-Backbone interact. energy: -0.416
local terms energy: -318.472718
where:
bonds (distance) C4'-P energy: -77.192
bonds (distance) P-C4' energy: -102.886
flat angles C4'-P-C4' energy: -79.415
flat angles P-C4'-P energy: -43.691
tors. eta vs tors. theta energy: -15.289
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: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1832.989907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.989907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.989907 (E_RNA)
where:
Base-Base interactions energy: -1283.361
where: short stacking energy: -507.128
Base-Backbone interact. energy: -2.913
local terms energy: -546.716342
where:
bonds (distance) C4'-P energy: -112.337
bonds (distance) P-C4' energy: -119.995
flat angles C4'-P-C4' energy: -106.951
flat angles P-C4'-P energy: -67.894
tors. eta vs tors. theta energy: -139.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1841.588981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.588981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.588981 (E_RNA)
where:
Base-Base interactions energy: -1272.969
where: short stacking energy: -532.011
Base-Backbone interact. energy: -0.587
local terms energy: -568.033078
where:
bonds (distance) C4'-P energy: -105.552
bonds (distance) P-C4' energy: -104.202
flat angles C4'-P-C4' energy: -126.719
flat angles P-C4'-P energy: -78.332
tors. eta vs tors. theta energy: -153.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1721.761029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.761029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.761029 (E_RNA)
where:
Base-Base interactions energy: -1166.446
where: short stacking energy: -506.802
Base-Backbone interact. energy: -0.176
local terms energy: -555.138273
where:
bonds (distance) C4'-P energy: -94.393
bonds (distance) P-C4' energy: -102.726
flat angles C4'-P-C4' energy: -116.418
flat angles P-C4'-P energy: -92.125
tors. eta vs tors. theta energy: -149.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1582.975928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.975928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.975928 (E_RNA)
where:
Base-Base interactions energy: -1074.751
where: short stacking energy: -461.914
Base-Backbone interact. energy: -2.472
local terms energy: -505.752786
where:
bonds (distance) C4'-P energy: -95.352
bonds (distance) P-C4' energy: -91.296
flat angles C4'-P-C4' energy: -117.695
flat angles P-C4'-P energy: -67.830
tors. eta vs tors. theta energy: -133.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1460.848955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.848955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.848955 (E_RNA)
where:
Base-Base interactions energy: -980.988
where: short stacking energy: -439.801
Base-Backbone interact. energy: -1.822
local terms energy: -478.038896
where:
bonds (distance) C4'-P energy: -92.143
bonds (distance) P-C4' energy: -96.687
flat angles C4'-P-C4' energy: -100.745
flat angles P-C4'-P energy: -72.637
tors. eta vs tors. theta energy: -115.827
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: 6, replica: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1422.407986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.407986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.407986 (E_RNA)
where:
Base-Base interactions energy: -947.950
where: short stacking energy: -433.456
Base-Backbone interact. energy: -0.016
local terms energy: -474.442541
where:
bonds (distance) C4'-P energy: -94.193
bonds (distance) P-C4' energy: -107.910
flat angles C4'-P-C4' energy: -97.775
flat angles P-C4'-P energy: -67.694
tors. eta vs tors. theta energy: -106.871
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: 9
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1312.713810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.713810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.713810 (E_RNA)
where:
Base-Base interactions energy: -880.585
where: short stacking energy: -364.522
Base-Backbone interact. energy: -0.692
local terms energy: -431.436798
where:
bonds (distance) C4'-P energy: -87.991
bonds (distance) P-C4' energy: -92.317
flat angles C4'-P-C4' energy: -102.211
flat angles P-C4'-P energy: -70.702
tors. eta vs tors. theta energy: -78.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1027.060413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.060413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.060413 (E_RNA)
where:
Base-Base interactions energy: -659.296
where: short stacking energy: -292.043
Base-Backbone interact. energy: 6.751
local terms energy: -374.515153
where:
bonds (distance) C4'-P energy: -86.932
bonds (distance) P-C4' energy: -91.303
flat angles C4'-P-C4' energy: -99.805
flat angles P-C4'-P energy: -54.761
tors. eta vs tors. theta energy: -41.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -756.533194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.533194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.533194 (E_RNA)
where:
Base-Base interactions energy: -430.624
where: short stacking energy: -202.871
Base-Backbone interact. energy: -2.450
local terms energy: -323.459415
where:
bonds (distance) C4'-P energy: -75.749
bonds (distance) P-C4' energy: -99.147
flat angles C4'-P-C4' energy: -85.119
flat angles P-C4'-P energy: -59.367
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -514.769142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.769142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.769142 (E_RNA)
where:
Base-Base interactions energy: -226.879
where: short stacking energy: -154.048
Base-Backbone interact. energy: 5.603
local terms energy: -293.493351
where:
bonds (distance) C4'-P energy: -86.310
bonds (distance) P-C4' energy: -97.479
flat angles C4'-P-C4' energy: -67.227
flat angles P-C4'-P energy: -44.982
tors. eta vs tors. theta energy: 2.505
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: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1832.444504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.444504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.444504 (E_RNA)
where:
Base-Base interactions energy: -1258.144
where: short stacking energy: -526.780
Base-Backbone interact. energy: -6.072
local terms energy: -568.227957
where:
bonds (distance) C4'-P energy: -111.024
bonds (distance) P-C4' energy: -115.355
flat angles C4'-P-C4' energy: -117.086
flat angles P-C4'-P energy: -79.402
tors. eta vs tors. theta energy: -145.361
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: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1816.931619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.931619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.931619 (E_RNA)
where:
Base-Base interactions energy: -1260.382
where: short stacking energy: -534.649
Base-Backbone interact. energy: -3.619
local terms energy: -552.930435
where:
bonds (distance) C4'-P energy: -90.007
bonds (distance) P-C4' energy: -102.186
flat angles C4'-P-C4' energy: -128.786
flat angles P-C4'-P energy: -87.305
tors. eta vs tors. theta energy: -144.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1708.275657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.275657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.275657 (E_RNA)
where:
Base-Base interactions energy: -1142.106
where: short stacking energy: -497.859
Base-Backbone interact. energy: -2.148
local terms energy: -564.021281
where:
bonds (distance) C4'-P energy: -103.851
bonds (distance) P-C4' energy: -109.661
flat angles C4'-P-C4' energy: -127.263
flat angles P-C4'-P energy: -81.714
tors. eta vs tors. theta energy: -141.533
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: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1584.508874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.508874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.508874 (E_RNA)
where:
Base-Base interactions energy: -1049.376
where: short stacking energy: -448.498
Base-Backbone interact. energy: 1.097
local terms energy: -536.229444
where:
bonds (distance) C4'-P energy: -107.810
bonds (distance) P-C4' energy: -106.239
flat angles C4'-P-C4' energy: -115.050
flat angles P-C4'-P energy: -81.128
tors. eta vs tors. theta energy: -126.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1506.317929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.317929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.317929 (E_RNA)
where:
Base-Base interactions energy: -1004.097
where: short stacking energy: -426.012
Base-Backbone interact. energy: -0.909
local terms energy: -501.312345
where:
bonds (distance) C4'-P energy: -95.304
bonds (distance) P-C4' energy: -95.367
flat angles C4'-P-C4' energy: -106.734
flat angles P-C4'-P energy: -80.679
tors. eta vs tors. theta energy: -123.227
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: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1431.998882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.998882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.998882 (E_RNA)
where:
Base-Base interactions energy: -954.981
where: short stacking energy: -393.819
Base-Backbone interact. energy: 1.778
local terms energy: -478.795711
where:
bonds (distance) C4'-P energy: -89.811
bonds (distance) P-C4' energy: -98.037
flat angles C4'-P-C4' energy: -111.023
flat angles P-C4'-P energy: -75.118
tors. eta vs tors. theta energy: -104.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1314.021661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.021661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.021661 (E_RNA)
where:
Base-Base interactions energy: -882.755
where: short stacking energy: -375.011
Base-Backbone interact. energy: -2.007
local terms energy: -429.259947
where:
bonds (distance) C4'-P energy: -84.358
bonds (distance) P-C4' energy: -84.501
flat angles C4'-P-C4' energy: -108.418
flat angles P-C4'-P energy: -73.874
tors. eta vs tors. theta energy: -78.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1047.441894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.441894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.441894 (E_RNA)
where:
Base-Base interactions energy: -666.986
where: short stacking energy: -281.587
Base-Backbone interact. energy: 0.731
local terms energy: -381.187048
where:
bonds (distance) C4'-P energy: -76.647
bonds (distance) P-C4' energy: -104.148
flat angles C4'-P-C4' energy: -91.841
flat angles P-C4'-P energy: -66.024
tors. eta vs tors. theta energy: -42.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -759.230126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.230126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.230126 (E_RNA)
where:
Base-Base interactions energy: -432.254
where: short stacking energy: -211.007
Base-Backbone interact. energy: -1.490
local terms energy: -325.486795
where:
bonds (distance) C4'-P energy: -82.836
bonds (distance) P-C4' energy: -89.377
flat angles C4'-P-C4' energy: -76.563
flat angles P-C4'-P energy: -64.838
tors. eta vs tors. theta energy: -11.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -512.855062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.855062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.855062 (E_RNA)
where:
Base-Base interactions energy: -228.261
where: short stacking energy: -138.265
Base-Backbone interact. energy: 4.487
local terms energy: -289.081035
where:
bonds (distance) C4'-P energy: -103.239
bonds (distance) P-C4' energy: -76.011
flat angles C4'-P-C4' energy: -69.491
flat angles P-C4'-P energy: -40.266
tors. eta vs tors. theta energy: -0.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1844.383152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.383152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.383152 (E_RNA)
where:
Base-Base interactions energy: -1265.897
where: short stacking energy: -537.264
Base-Backbone interact. energy: -4.218
local terms energy: -574.267791
where:
bonds (distance) C4'-P energy: -113.157
bonds (distance) P-C4' energy: -110.660
flat angles C4'-P-C4' energy: -123.475
flat angles P-C4'-P energy: -73.329
tors. eta vs tors. theta energy: -153.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1808.632889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.632889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.632889 (E_RNA)
where:
Base-Base interactions energy: -1256.677
where: short stacking energy: -518.828
Base-Backbone interact. energy: 0.080
local terms energy: -552.036367
where:
bonds (distance) C4'-P energy: -113.836
bonds (distance) P-C4' energy: -117.536
flat angles C4'-P-C4' energy: -119.649
flat angles P-C4'-P energy: -60.943
tors. eta vs tors. theta energy: -140.071
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: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1686.566117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.566117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.566117 (E_RNA)
where:
Base-Base interactions energy: -1141.227
where: short stacking energy: -503.947
Base-Backbone interact. energy: -0.211
local terms energy: -545.127643
where:
bonds (distance) C4'-P energy: -106.956
bonds (distance) P-C4' energy: -99.179
flat angles C4'-P-C4' energy: -117.317
flat angles P-C4'-P energy: -83.026
tors. eta vs tors. theta energy: -138.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1548.135762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.135762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.135762 (E_RNA)
where:
Base-Base interactions energy: -1067.911
where: short stacking energy: -448.137
Base-Backbone interact. energy: 4.269
local terms energy: -484.493903
where:
bonds (distance) C4'-P energy: -103.627
bonds (distance) P-C4' energy: -95.605
flat angles C4'-P-C4' energy: -106.527
flat angles P-C4'-P energy: -59.739
tors. eta vs tors. theta energy: -118.996
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: 5, replica: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1480.097408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.097408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.097408 (E_RNA)
where:
Base-Base interactions energy: -1021.934
where: short stacking energy: -453.047
Base-Backbone interact. energy: -1.103
local terms energy: -457.059771
where:
bonds (distance) C4'-P energy: -86.880
bonds (distance) P-C4' energy: -83.719
flat angles C4'-P-C4' energy: -98.234
flat angles P-C4'-P energy: -67.950
tors. eta vs tors. theta energy: -120.277
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: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1415.792937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.792937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.792937 (E_RNA)
where:
Base-Base interactions energy: -960.191
where: short stacking energy: -421.127
Base-Backbone interact. energy: 0.929
local terms energy: -456.531864
where:
bonds (distance) C4'-P energy: -93.852
bonds (distance) P-C4' energy: -90.814
flat angles C4'-P-C4' energy: -103.180
flat angles P-C4'-P energy: -60.977
tors. eta vs tors. theta energy: -107.710
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: 9
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1334.607629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.607629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.607629 (E_RNA)
where:
Base-Base interactions energy: -904.924
where: short stacking energy: -389.979
Base-Backbone interact. energy: -0.669
local terms energy: -429.014233
where:
bonds (distance) C4'-P energy: -99.433
bonds (distance) P-C4' energy: -85.577
flat angles C4'-P-C4' energy: -83.102
flat angles P-C4'-P energy: -66.789
tors. eta vs tors. theta energy: -94.112
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: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1030.990693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.990693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.990693 (E_RNA)
where:
Base-Base interactions energy: -681.719
where: short stacking energy: -292.054
Base-Backbone interact. energy: 0.155
local terms energy: -349.426433
where:
bonds (distance) C4'-P energy: -85.087
bonds (distance) P-C4' energy: -79.135
flat angles C4'-P-C4' energy: -91.141
flat angles P-C4'-P energy: -56.180
tors. eta vs tors. theta energy: -37.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -769.340716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.340716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.340716 (E_RNA)
where:
Base-Base interactions energy: -432.323
where: short stacking energy: -213.805
Base-Backbone interact. energy: -1.491
local terms energy: -335.526951
where:
bonds (distance) C4'-P energy: -106.121
bonds (distance) P-C4' energy: -83.900
flat angles C4'-P-C4' energy: -88.788
flat angles P-C4'-P energy: -43.752
tors. eta vs tors. theta energy: -12.967
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: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -428.171343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.171343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.171343 (E_RNA)
where:
Base-Base interactions energy: -159.640
where: short stacking energy: -115.347
Base-Backbone interact. energy: -1.814
local terms energy: -266.717332
where:
bonds (distance) C4'-P energy: -95.471
bonds (distance) P-C4' energy: -94.123
flat angles C4'-P-C4' energy: -59.268
flat angles P-C4'-P energy: -43.758
tors. eta vs tors. theta energy: 25.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1848.202126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.202126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.202126 (E_RNA)
where:
Base-Base interactions energy: -1269.893
where: short stacking energy: -548.728
Base-Backbone interact. energy: -2.056
local terms energy: -576.252987
where:
bonds (distance) C4'-P energy: -103.023
bonds (distance) P-C4' energy: -105.927
flat angles C4'-P-C4' energy: -120.676
flat angles P-C4'-P energy: -92.756
tors. eta vs tors. theta energy: -153.872
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: 2, replica: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1794.352135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.352135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.352135 (E_RNA)
where:
Base-Base interactions energy: -1268.735
where: short stacking energy: -516.985
Base-Backbone interact. energy: -3.903
local terms energy: -521.713796
where:
bonds (distance) C4'-P energy: -90.848
bonds (distance) P-C4' energy: -100.017
flat angles C4'-P-C4' energy: -110.409
flat angles P-C4'-P energy: -76.402
tors. eta vs tors. theta energy: -144.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1665.618219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.618219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.618219 (E_RNA)
where:
Base-Base interactions energy: -1137.447
where: short stacking energy: -483.947
Base-Backbone interact. energy: -0.771
local terms energy: -527.399407
where:
bonds (distance) C4'-P energy: -98.289
bonds (distance) P-C4' energy: -101.526
flat angles C4'-P-C4' energy: -114.885
flat angles P-C4'-P energy: -73.374
tors. eta vs tors. theta energy: -139.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1547.604505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.604505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.604505 (E_RNA)
where:
Base-Base interactions energy: -1033.490
where: short stacking energy: -440.243
Base-Backbone interact. energy: -4.118
local terms energy: -509.996888
where:
bonds (distance) C4'-P energy: -92.910
bonds (distance) P-C4' energy: -102.364
flat angles C4'-P-C4' energy: -108.475
flat angles P-C4'-P energy: -80.687
tors. eta vs tors. theta energy: -125.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1476.269082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.269082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.269082 (E_RNA)
where:
Base-Base interactions energy: -995.135
where: short stacking energy: -427.339
Base-Backbone interact. energy: -1.560
local terms energy: -479.574214
where:
bonds (distance) C4'-P energy: -91.957
bonds (distance) P-C4' energy: -85.737
flat angles C4'-P-C4' energy: -114.042
flat angles P-C4'-P energy: -75.123
tors. eta vs tors. theta energy: -112.715
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: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1381.333863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.333863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.333863 (E_RNA)
where:
Base-Base interactions energy: -943.569
where: short stacking energy: -398.479
Base-Backbone interact. energy: -0.869
local terms energy: -436.895311
where:
bonds (distance) C4'-P energy: -76.914
bonds (distance) P-C4' energy: -103.069
flat angles C4'-P-C4' energy: -103.065
flat angles P-C4'-P energy: -57.721
tors. eta vs tors. theta energy: -96.127
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: 7, replica: 9
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1318.616505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.616505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.616505 (E_RNA)
where:
Base-Base interactions energy: -883.427
where: short stacking energy: -384.154
Base-Backbone interact. energy: 0.880
local terms energy: -436.069374
where:
bonds (distance) C4'-P energy: -98.092
bonds (distance) P-C4' energy: -87.186
flat angles C4'-P-C4' energy: -97.602
flat angles P-C4'-P energy: -65.800
tors. eta vs tors. theta energy: -87.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1036.710902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.710902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.710902 (E_RNA)
where:
Base-Base interactions energy: -635.623
where: short stacking energy: -298.910
Base-Backbone interact. energy: -1.762
local terms energy: -399.326113
where:
bonds (distance) C4'-P energy: -93.495
bonds (distance) P-C4' energy: -103.114
flat angles C4'-P-C4' energy: -87.632
flat angles P-C4'-P energy: -63.007
tors. eta vs tors. theta energy: -52.079
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: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -812.810945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.810945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.810945 (E_RNA)
where:
Base-Base interactions energy: -470.343
where: short stacking energy: -238.854
Base-Backbone interact. energy: -1.716
local terms energy: -340.751777
where:
bonds (distance) C4'-P energy: -87.352
bonds (distance) P-C4' energy: -88.586
flat angles C4'-P-C4' energy: -83.318
flat angles P-C4'-P energy: -51.493
tors. eta vs tors. theta energy: -30.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -444.338160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.338160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.338160 (E_RNA)
where:
Base-Base interactions energy: -165.879
where: short stacking energy: -101.431
Base-Backbone interact. energy: -1.791
local terms energy: -276.667518
where:
bonds (distance) C4'-P energy: -73.394
bonds (distance) P-C4' energy: -95.576
flat angles C4'-P-C4' energy: -93.131
flat angles P-C4'-P energy: -45.563
tors. eta vs tors. theta energy: 30.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1851.297955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.297955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.297955 (E_RNA)
where:
Base-Base interactions energy: -1275.759
where: short stacking energy: -545.008
Base-Backbone interact. energy: -2.275
local terms energy: -573.264078
where:
bonds (distance) C4'-P energy: -103.109
bonds (distance) P-C4' energy: -108.766
flat angles C4'-P-C4' energy: -130.658
flat angles P-C4'-P energy: -75.145
tors. eta vs tors. theta energy: -155.585
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: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1803.251955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.251955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.251955 (E_RNA)
where:
Base-Base interactions energy: -1246.462
where: short stacking energy: -521.517
Base-Backbone interact. energy: -1.005
local terms energy: -555.784864
where:
bonds (distance) C4'-P energy: -107.358
bonds (distance) P-C4' energy: -110.118
flat angles C4'-P-C4' energy: -127.112
flat angles P-C4'-P energy: -65.115
tors. eta vs tors. theta energy: -146.083
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: 3, replica: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1717.713186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.713186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.713186 (E_RNA)
where:
Base-Base interactions energy: -1162.041
where: short stacking energy: -532.169
Base-Backbone interact. energy: -0.360
local terms energy: -555.311774
where:
bonds (distance) C4'-P energy: -108.672
bonds (distance) P-C4' energy: -91.291
flat angles C4'-P-C4' energy: -122.809
flat angles P-C4'-P energy: -79.254
tors. eta vs tors. theta energy: -153.286
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: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1508.464852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.464852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.464852 (E_RNA)
where:
Base-Base interactions energy: -988.960
where: short stacking energy: -456.167
Base-Backbone interact. energy: -0.610
local terms energy: -518.894518
where:
bonds (distance) C4'-P energy: -97.686
bonds (distance) P-C4' energy: -121.181
flat angles C4'-P-C4' energy: -111.084
flat angles P-C4'-P energy: -63.626
tors. eta vs tors. theta energy: -125.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1481.883901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.883901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.883901 (E_RNA)
where:
Base-Base interactions energy: -986.754
where: short stacking energy: -406.138
Base-Backbone interact. energy: -2.327
local terms energy: -492.802988
where:
bonds (distance) C4'-P energy: -96.026
bonds (distance) P-C4' energy: -99.514
flat angles C4'-P-C4' energy: -111.812
flat angles P-C4'-P energy: -75.678
tors. eta vs tors. theta energy: -109.772
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: 6, replica: 6
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1364.752199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.752199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.752199 (E_RNA)
where:
Base-Base interactions energy: -892.270
where: short stacking energy: -394.420
Base-Backbone interact. energy: -2.119
local terms energy: -470.363028
where:
bonds (distance) C4'-P energy: -97.258
bonds (distance) P-C4' energy: -99.242
flat angles C4'-P-C4' energy: -109.236
flat angles P-C4'-P energy: -66.893
tors. eta vs tors. theta energy: -97.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1289.833410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.833410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.833410 (E_RNA)
where:
Base-Base interactions energy: -843.389
where: short stacking energy: -354.504
Base-Backbone interact. energy: -2.611
local terms energy: -443.833417
where:
bonds (distance) C4'-P energy: -94.950
bonds (distance) P-C4' energy: -99.975
flat angles C4'-P-C4' energy: -107.296
flat angles P-C4'-P energy: -62.952
tors. eta vs tors. theta energy: -78.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1043.441369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.441369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.441369 (E_RNA)
where:
Base-Base interactions energy: -658.236
where: short stacking energy: -277.845
Base-Backbone interact. energy: -0.375
local terms energy: -384.830897
where:
bonds (distance) C4'-P energy: -77.884
bonds (distance) P-C4' energy: -107.876
flat angles C4'-P-C4' energy: -84.740
flat angles P-C4'-P energy: -67.958
tors. eta vs tors. theta energy: -46.373
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: 8
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -820.768691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.768691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.768691 (E_RNA)
where:
Base-Base interactions energy: -458.859
where: short stacking energy: -238.916
Base-Backbone interact. energy: -2.043
local terms energy: -359.866918
where:
bonds (distance) C4'-P energy: -99.203
bonds (distance) P-C4' energy: -104.731
flat angles C4'-P-C4' energy: -79.903
flat angles P-C4'-P energy: -42.256
tors. eta vs tors. theta energy: -33.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -469.177225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.177225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.177225 (E_RNA)
where:
Base-Base interactions energy: -211.673
where: short stacking energy: -130.318
Base-Backbone interact. energy: 2.981
local terms energy: -260.485602
where:
bonds (distance) C4'-P energy: -74.995
bonds (distance) P-C4' energy: -97.290
flat angles C4'-P-C4' energy: -59.173
flat angles P-C4'-P energy: -47.700
tors. eta vs tors. theta energy: 18.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1853.848258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.848258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.848258 (E_RNA)
where:
Base-Base interactions energy: -1258.433
where: short stacking energy: -538.936
Base-Backbone interact. energy: -4.230
local terms energy: -591.186010
where:
bonds (distance) C4'-P energy: -107.209
bonds (distance) P-C4' energy: -112.527
flat angles C4'-P-C4' energy: -124.806
flat angles P-C4'-P energy: -92.419
tors. eta vs tors. theta energy: -154.224
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: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1799.391503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.391503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.391503 (E_RNA)
where:
Base-Base interactions energy: -1230.039
where: short stacking energy: -514.256
Base-Backbone interact. energy: -3.194
local terms energy: -566.158365
where:
bonds (distance) C4'-P energy: -105.375
bonds (distance) P-C4' energy: -127.621
flat angles C4'-P-C4' energy: -113.647
flat angles P-C4'-P energy: -68.913
tors. eta vs tors. theta energy: -150.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1691.776877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.776877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.776877 (E_RNA)
where:
Base-Base interactions energy: -1141.253
where: short stacking energy: -501.437
Base-Backbone interact. energy: -1.946
local terms energy: -548.577393
where:
bonds (distance) C4'-P energy: -107.688
bonds (distance) P-C4' energy: -100.264
flat angles C4'-P-C4' energy: -121.820
flat angles P-C4'-P energy: -77.472
tors. eta vs tors. theta energy: -141.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1553.309511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.309511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.309511 (E_RNA)
where:
Base-Base interactions energy: -1070.975
where: short stacking energy: -484.130
Base-Backbone interact. energy: -2.941
local terms energy: -479.392870
where:
bonds (distance) C4'-P energy: -85.573
bonds (distance) P-C4' energy: -97.350
flat angles C4'-P-C4' energy: -114.326
flat angles P-C4'-P energy: -53.286
tors. eta vs tors. theta energy: -128.858
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: 5, replica: 4
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1492.501466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.501466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.501466 (E_RNA)
where:
Base-Base interactions energy: -1008.002
where: short stacking energy: -422.899
Base-Backbone interact. energy: -2.639
local terms energy: -481.860109
where:
bonds (distance) C4'-P energy: -83.266
bonds (distance) P-C4' energy: -106.813
flat angles C4'-P-C4' energy: -109.139
flat angles P-C4'-P energy: -62.502
tors. eta vs tors. theta energy: -120.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1445.869527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.869527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.869527 (E_RNA)
where:
Base-Base interactions energy: -973.598
where: short stacking energy: -424.056
Base-Backbone interact. energy: -2.724
local terms energy: -469.547572
where:
bonds (distance) C4'-P energy: -85.421
bonds (distance) P-C4' energy: -90.223
flat angles C4'-P-C4' energy: -119.617
flat angles P-C4'-P energy: -70.516
tors. eta vs tors. theta energy: -103.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1306.421167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.421167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.421167 (E_RNA)
where:
Base-Base interactions energy: -908.283
where: short stacking energy: -384.478
Base-Backbone interact. energy: 1.245
local terms energy: -399.383005
where:
bonds (distance) C4'-P energy: -78.135
bonds (distance) P-C4' energy: -85.935
flat angles C4'-P-C4' energy: -80.897
flat angles P-C4'-P energy: -65.738
tors. eta vs tors. theta energy: -88.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -990.204784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.204784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.204784 (E_RNA)
where:
Base-Base interactions energy: -621.517
where: short stacking energy: -279.041
Base-Backbone interact. energy: 1.052
local terms energy: -369.739898
where:
bonds (distance) C4'-P energy: -79.269
bonds (distance) P-C4' energy: -102.967
flat angles C4'-P-C4' energy: -99.408
flat angles P-C4'-P energy: -45.849
tors. eta vs tors. theta energy: -42.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -769.840606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.840606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.840606 (E_RNA)
where:
Base-Base interactions energy: -459.774
where: short stacking energy: -235.641
Base-Backbone interact. energy: -3.998
local terms energy: -306.068018
where:
bonds (distance) C4'-P energy: -81.915
bonds (distance) P-C4' energy: -96.971
flat angles C4'-P-C4' energy: -56.880
flat angles P-C4'-P energy: -52.069
tors. eta vs tors. theta energy: -18.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -493.368312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.368312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.368312 (E_RNA)
where:
Base-Base interactions energy: -207.108
where: short stacking energy: -125.978
Base-Backbone interact. energy: -3.694
local terms energy: -282.565934
where:
bonds (distance) C4'-P energy: -92.681
bonds (distance) P-C4' energy: -89.219
flat angles C4'-P-C4' energy: -78.533
flat angles P-C4'-P energy: -40.115
tors. eta vs tors. theta energy: 17.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1868.665003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.665003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.665003 (E_RNA)
where:
Base-Base interactions energy: -1286.713
where: short stacking energy: -549.608
Base-Backbone interact. energy: 0.677
local terms energy: -582.628659
where:
bonds (distance) C4'-P energy: -115.893
bonds (distance) P-C4' energy: -110.560
flat angles C4'-P-C4' energy: -115.100
flat angles P-C4'-P energy: -90.200
tors. eta vs tors. theta energy: -150.875
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: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1797.786874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.786874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.786874 (E_RNA)
where:
Base-Base interactions energy: -1259.303
where: short stacking energy: -521.174
Base-Backbone interact. energy: 0.379
local terms energy: -538.862333
where:
bonds (distance) C4'-P energy: -106.597
bonds (distance) P-C4' energy: -96.843
flat angles C4'-P-C4' energy: -110.601
flat angles P-C4'-P energy: -80.918
tors. eta vs tors. theta energy: -143.904
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: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1677.268529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.268529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.268529 (E_RNA)
where:
Base-Base interactions energy: -1145.048
where: short stacking energy: -501.357
Base-Backbone interact. energy: -0.565
local terms energy: -531.655634
where:
bonds (distance) C4'-P energy: -97.819
bonds (distance) P-C4' energy: -99.911
flat angles C4'-P-C4' energy: -111.222
flat angles P-C4'-P energy: -77.972
tors. eta vs tors. theta energy: -144.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1592.082096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.082096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.082096 (E_RNA)
where:
Base-Base interactions energy: -1075.447
where: short stacking energy: -484.453
Base-Backbone interact. energy: -0.587
local terms energy: -516.047208
where:
bonds (distance) C4'-P energy: -86.948
bonds (distance) P-C4' energy: -100.727
flat angles C4'-P-C4' energy: -114.979
flat angles P-C4'-P energy: -80.382
tors. eta vs tors. theta energy: -133.012
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: 5, replica: 4
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1522.366280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.366280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.366280 (E_RNA)
where:
Base-Base interactions energy: -1045.517
where: short stacking energy: -454.112
Base-Backbone interact. energy: -0.012
local terms energy: -476.837658
where:
bonds (distance) C4'-P energy: -104.280
bonds (distance) P-C4' energy: -85.741
flat angles C4'-P-C4' energy: -102.335
flat angles P-C4'-P energy: -69.984
tors. eta vs tors. theta energy: -114.497
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: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1427.854409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.854409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.854409 (E_RNA)
where:
Base-Base interactions energy: -955.923
where: short stacking energy: -402.610
Base-Backbone interact. energy: 5.539
local terms energy: -477.469710
where:
bonds (distance) C4'-P energy: -97.506
bonds (distance) P-C4' energy: -111.965
flat angles C4'-P-C4' energy: -95.719
flat angles P-C4'-P energy: -60.689
tors. eta vs tors. theta energy: -111.591
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: 7, replica: 9
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1340.587073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.587073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.587073 (E_RNA)
where:
Base-Base interactions energy: -883.093
where: short stacking energy: -379.286
Base-Backbone interact. energy: 1.304
local terms energy: -458.797649
where:
bonds (distance) C4'-P energy: -93.355
bonds (distance) P-C4' energy: -92.469
flat angles C4'-P-C4' energy: -106.624
flat angles P-C4'-P energy: -64.438
tors. eta vs tors. theta energy: -101.911
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: 311
Temperature: 1.250000
Total energy: -1005.011790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.011790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.011790 (E_RNA)
where:
Base-Base interactions energy: -605.690
where: short stacking energy: -282.168
Base-Backbone interact. energy: 1.578
local terms energy: -400.899624
where:
bonds (distance) C4'-P energy: -90.990
bonds (distance) P-C4' energy: -99.764
flat angles C4'-P-C4' energy: -81.053
flat angles P-C4'-P energy: -58.620
tors. eta vs tors. theta energy: -70.473
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: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -741.056434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.056434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.056434 (E_RNA)
where:
Base-Base interactions energy: -423.776
where: short stacking energy: -227.297
Base-Backbone interact. energy: -1.620
local terms energy: -315.661197
where:
bonds (distance) C4'-P energy: -71.667
bonds (distance) P-C4' energy: -85.318
flat angles C4'-P-C4' energy: -75.753
flat angles P-C4'-P energy: -62.066
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -555.293242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.293242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.293242 (E_RNA)
where:
Base-Base interactions energy: -260.411
where: short stacking energy: -159.475
Base-Backbone interact. energy: 0.889
local terms energy: -295.771026
where:
bonds (distance) C4'-P energy: -72.425
bonds (distance) P-C4' energy: -87.505
flat angles C4'-P-C4' energy: -67.964
flat angles P-C4'-P energy: -58.995
tors. eta vs tors. theta energy: -8.882
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: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1874.809374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.809374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.809374 (E_RNA)
where:
Base-Base interactions energy: -1301.835
where: short stacking energy: -527.681
Base-Backbone interact. energy: -1.658
local terms energy: -571.316993
where:
bonds (distance) C4'-P energy: -108.809
bonds (distance) P-C4' energy: -108.413
flat angles C4'-P-C4' energy: -119.657
flat angles P-C4'-P energy: -86.230
tors. eta vs tors. theta energy: -148.209
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: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1831.099564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.099564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.099564 (E_RNA)
where:
Base-Base interactions energy: -1257.983
where: short stacking energy: -508.329
Base-Backbone interact. energy: 2.223
local terms energy: -575.339809
where:
bonds (distance) C4'-P energy: -98.767
bonds (distance) P-C4' energy: -116.042
flat angles C4'-P-C4' energy: -131.267
flat angles P-C4'-P energy: -88.140
tors. eta vs tors. theta energy: -141.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1675.810754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.810754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.810754 (E_RNA)
where:
Base-Base interactions energy: -1140.102
where: short stacking energy: -508.305
Base-Backbone interact. energy: -0.759
local terms energy: -534.949913
where:
bonds (distance) C4'-P energy: -94.036
bonds (distance) P-C4' energy: -111.566
flat angles C4'-P-C4' energy: -111.033
flat angles P-C4'-P energy: -76.894
tors. eta vs tors. theta energy: -141.421
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: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1606.883170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.883170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.883170 (E_RNA)
where:
Base-Base interactions energy: -1099.135
where: short stacking energy: -470.368
Base-Backbone interact. energy: 0.364
local terms energy: -508.111555
where:
bonds (distance) C4'-P energy: -101.546
bonds (distance) P-C4' energy: -91.987
flat angles C4'-P-C4' energy: -109.124
flat angles P-C4'-P energy: -68.250
tors. eta vs tors. theta energy: -137.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1534.840040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.840040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.840040 (E_RNA)
where:
Base-Base interactions energy: -1014.340
where: short stacking energy: -430.181
Base-Backbone interact. energy: 2.206
local terms energy: -522.705971
where:
bonds (distance) C4'-P energy: -100.185
bonds (distance) P-C4' energy: -106.929
flat angles C4'-P-C4' energy: -104.925
flat angles P-C4'-P energy: -78.671
tors. eta vs tors. theta energy: -131.995
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: 6
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1435.426706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.426706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.426706 (E_RNA)
where:
Base-Base interactions energy: -955.372
where: short stacking energy: -409.294
Base-Backbone interact. energy: 3.530
local terms energy: -483.585097
where:
bonds (distance) C4'-P energy: -113.195
bonds (distance) P-C4' energy: -77.838
flat angles C4'-P-C4' energy: -111.544
flat angles P-C4'-P energy: -73.100
tors. eta vs tors. theta energy: -107.907
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: 9
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1327.404434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.404434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.404434 (E_RNA)
where:
Base-Base interactions energy: -904.596
where: short stacking energy: -371.646
Base-Backbone interact. energy: 0.021
local terms energy: -422.830109
where:
bonds (distance) C4'-P energy: -78.916
bonds (distance) P-C4' energy: -104.168
flat angles C4'-P-C4' energy: -109.894
flat angles P-C4'-P energy: -50.868
tors. eta vs tors. theta energy: -78.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -963.513116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.513116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.513116 (E_RNA)
where:
Base-Base interactions energy: -626.313
where: short stacking energy: -283.612
Base-Backbone interact. energy: -1.928
local terms energy: -335.272064
where:
bonds (distance) C4'-P energy: -98.826
bonds (distance) P-C4' energy: -66.082
flat angles C4'-P-C4' energy: -93.640
flat angles P-C4'-P energy: -38.982
tors. eta vs tors. theta energy: -37.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -789.337926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.337926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.337926 (E_RNA)
where:
Base-Base interactions energy: -435.646
where: short stacking energy: -229.654
Base-Backbone interact. energy: -3.274
local terms energy: -350.418292
where:
bonds (distance) C4'-P energy: -92.091
bonds (distance) P-C4' energy: -90.741
flat angles C4'-P-C4' energy: -93.455
flat angles P-C4'-P energy: -53.204
tors. eta vs tors. theta energy: -20.926
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: 312
Temperature: 1.350000
Total energy: -555.300798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.300798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.300798 (E_RNA)
where:
Base-Base interactions energy: -233.717
where: short stacking energy: -147.558
Base-Backbone interact. energy: -2.342
local terms energy: -319.241728
where:
bonds (distance) C4'-P energy: -79.566
bonds (distance) P-C4' energy: -97.057
flat angles C4'-P-C4' energy: -80.723
flat angles P-C4'-P energy: -61.513
tors. eta vs tors. theta energy: -0.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1877.377498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.377498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.377498 (E_RNA)
where:
Base-Base interactions energy: -1296.453
where: short stacking energy: -526.651
Base-Backbone interact. energy: -3.771
local terms energy: -577.153956
where:
bonds (distance) C4'-P energy: -108.670
bonds (distance) P-C4' energy: -110.601
flat angles C4'-P-C4' energy: -132.195
flat angles P-C4'-P energy: -80.613
tors. eta vs tors. theta energy: -145.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1792.590032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.590032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.590032 (E_RNA)
where:
Base-Base interactions energy: -1235.584
where: short stacking energy: -528.844
Base-Backbone interact. energy: -0.586
local terms energy: -556.419637
where:
bonds (distance) C4'-P energy: -94.994
bonds (distance) P-C4' energy: -98.009
flat angles C4'-P-C4' energy: -126.478
flat angles P-C4'-P energy: -83.460
tors. eta vs tors. theta energy: -153.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1662.479540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.479540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.479540 (E_RNA)
where:
Base-Base interactions energy: -1139.682
where: short stacking energy: -496.134
Base-Backbone interact. energy: -0.663
local terms energy: -522.135416
where:
bonds (distance) C4'-P energy: -95.909
bonds (distance) P-C4' energy: -105.858
flat angles C4'-P-C4' energy: -108.491
flat angles P-C4'-P energy: -73.243
tors. eta vs tors. theta energy: -138.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1607.339746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.339746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.339746 (E_RNA)
where:
Base-Base interactions energy: -1056.669
where: short stacking energy: -482.317
Base-Backbone interact. energy: -2.372
local terms energy: -548.298678
where:
bonds (distance) C4'-P energy: -94.759
bonds (distance) P-C4' energy: -110.327
flat angles C4'-P-C4' energy: -117.165
flat angles P-C4'-P energy: -88.867
tors. eta vs tors. theta energy: -137.179
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: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1528.978032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.978032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.978032 (E_RNA)
where:
Base-Base interactions energy: -1048.714
where: short stacking energy: -446.003
Base-Backbone interact. energy: -2.566
local terms energy: -477.697795
where:
bonds (distance) C4'-P energy: -77.227
bonds (distance) P-C4' energy: -95.098
flat angles C4'-P-C4' energy: -109.745
flat angles P-C4'-P energy: -75.056
tors. eta vs tors. theta energy: -120.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1453.922686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.922686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.922686 (E_RNA)
where:
Base-Base interactions energy: -991.025
where: short stacking energy: -417.980
Base-Backbone interact. energy: 2.016
local terms energy: -464.913652
where:
bonds (distance) C4'-P energy: -97.696
bonds (distance) P-C4' energy: -82.018
flat angles C4'-P-C4' energy: -107.114
flat angles P-C4'-P energy: -71.783
tors. eta vs tors. theta energy: -106.303
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: 9
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1305.708653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.708653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.708653 (E_RNA)
where:
Base-Base interactions energy: -868.400
where: short stacking energy: -353.469
Base-Backbone interact. energy: -3.597
local terms energy: -433.711790
where:
bonds (distance) C4'-P energy: -90.207
bonds (distance) P-C4' energy: -95.063
flat angles C4'-P-C4' energy: -108.571
flat angles P-C4'-P energy: -59.491
tors. eta vs tors. theta energy: -80.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -989.779649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.779649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.779649 (E_RNA)
where:
Base-Base interactions energy: -631.352
where: short stacking energy: -283.983
Base-Backbone interact. energy: -4.146
local terms energy: -354.281241
where:
bonds (distance) C4'-P energy: -86.465
bonds (distance) P-C4' energy: -75.077
flat angles C4'-P-C4' energy: -89.247
flat angles P-C4'-P energy: -53.628
tors. eta vs tors. theta energy: -49.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -753.861258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.861258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.861258 (E_RNA)
where:
Base-Base interactions energy: -422.235
where: short stacking energy: -203.045
Base-Backbone interact. energy: 3.482
local terms energy: -335.109056
where:
bonds (distance) C4'-P energy: -79.300
bonds (distance) P-C4' energy: -110.445
flat angles C4'-P-C4' energy: -83.159
flat angles P-C4'-P energy: -49.943
tors. eta vs tors. theta energy: -12.262
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: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -564.137376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.137376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.137376 (E_RNA)
where:
Base-Base interactions energy: -263.721
where: short stacking energy: -149.653
Base-Backbone interact. energy: 2.028
local terms energy: -302.444288
where:
bonds (distance) C4'-P energy: -85.024
bonds (distance) P-C4' energy: -90.895
flat angles C4'-P-C4' energy: -80.809
flat angles P-C4'-P energy: -58.089
tors. eta vs tors. theta energy: 12.374
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: 1, replica: 7
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1878.183126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.183126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.183126 (E_RNA)
where:
Base-Base interactions energy: -1308.084
where: short stacking energy: -551.648
Base-Backbone interact. energy: -6.447
local terms energy: -563.652105
where:
bonds (distance) C4'-P energy: -103.368
bonds (distance) P-C4' energy: -110.776
flat angles C4'-P-C4' energy: -115.444
flat angles P-C4'-P energy: -73.357
tors. eta vs tors. theta energy: -160.708
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: 2, replica: 1
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1779.609378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.609378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.609378 (E_RNA)
where:
Base-Base interactions energy: -1218.701
where: short stacking energy: -509.941
Base-Backbone interact. energy: 2.772
local terms energy: -563.680954
where:
bonds (distance) C4'-P energy: -106.482
bonds (distance) P-C4' energy: -110.211
flat angles C4'-P-C4' energy: -115.355
flat angles P-C4'-P energy: -82.390
tors. eta vs tors. theta energy: -149.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1677.668631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.668631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.668631 (E_RNA)
where:
Base-Base interactions energy: -1130.999
where: short stacking energy: -508.871
Base-Backbone interact. energy: 0.603
local terms energy: -547.272411
where:
bonds (distance) C4'-P energy: -110.519
bonds (distance) P-C4' energy: -101.878
flat angles C4'-P-C4' energy: -111.780
flat angles P-C4'-P energy: -75.587
tors. eta vs tors. theta energy: -147.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1659.354248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.354248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.354248 (E_RNA)
where:
Base-Base interactions energy: -1144.173
where: short stacking energy: -493.128
Base-Backbone interact. energy: -0.809
local terms energy: -514.372642
where:
bonds (distance) C4'-P energy: -101.607
bonds (distance) P-C4' energy: -91.734
flat angles C4'-P-C4' energy: -105.729
flat angles P-C4'-P energy: -69.355
tors. eta vs tors. theta energy: -145.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1529.260829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.260829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.260829 (E_RNA)
where:
Base-Base interactions energy: -1024.498
where: short stacking energy: -433.380
Base-Backbone interact. energy: -2.547
local terms energy: -502.215979
where:
bonds (distance) C4'-P energy: -100.368
bonds (distance) P-C4' energy: -95.140
flat angles C4'-P-C4' energy: -109.012
flat angles P-C4'-P energy: -67.412
tors. eta vs tors. theta energy: -130.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1432.879888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.879888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.879888 (E_RNA)
where:
Base-Base interactions energy: -962.338
where: short stacking energy: -389.807
Base-Backbone interact. energy: -0.724
local terms energy: -469.817216
where:
bonds (distance) C4'-P energy: -88.192
bonds (distance) P-C4' energy: -95.846
flat angles C4'-P-C4' energy: -111.318
flat angles P-C4'-P energy: -71.850
tors. eta vs tors. theta energy: -102.611
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: 9
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1294.484858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.484858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.484858 (E_RNA)
where:
Base-Base interactions energy: -845.621
where: short stacking energy: -358.879
Base-Backbone interact. energy: -0.373
local terms energy: -448.491026
where:
bonds (distance) C4'-P energy: -95.190
bonds (distance) P-C4' energy: -101.283
flat angles C4'-P-C4' energy: -103.728
flat angles P-C4'-P energy: -60.208
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: 8, replica: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -994.330464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.330464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.330464 (E_RNA)
where:
Base-Base interactions energy: -631.158
where: short stacking energy: -294.593
Base-Backbone interact. energy: -3.057
local terms energy: -360.114605
where:
bonds (distance) C4'-P energy: -81.843
bonds (distance) P-C4' energy: -89.815
flat angles C4'-P-C4' energy: -81.129
flat angles P-C4'-P energy: -56.025
tors. eta vs tors. theta energy: -51.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -758.943562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.943562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.943562 (E_RNA)
where:
Base-Base interactions energy: -428.810
where: short stacking energy: -202.224
Base-Backbone interact. energy: 4.486
local terms energy: -334.619922
where:
bonds (distance) C4'-P energy: -105.888
bonds (distance) P-C4' energy: -74.500
flat angles C4'-P-C4' energy: -81.903
flat angles P-C4'-P energy: -48.003
tors. eta vs tors. theta energy: -24.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -561.472933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.472933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.472933 (E_RNA)
where:
Base-Base interactions energy: -284.115
where: short stacking energy: -150.132
Base-Backbone interact. energy: -0.583
local terms energy: -276.774734
where:
bonds (distance) C4'-P energy: -78.042
bonds (distance) P-C4' energy: -96.727
flat angles C4'-P-C4' energy: -80.360
flat angles P-C4'-P energy: -37.439
tors. eta vs tors. theta energy: 15.793
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: 7
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1858.845926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.845926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.845926 (E_RNA)
where:
Base-Base interactions energy: -1300.152
where: short stacking energy: -519.562
Base-Backbone interact. energy: -2.014
local terms energy: -556.679892
where:
bonds (distance) C4'-P energy: -119.385
bonds (distance) P-C4' energy: -104.302
flat angles C4'-P-C4' energy: -110.690
flat angles P-C4'-P energy: -80.992
tors. eta vs tors. theta energy: -141.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1779.242152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.242152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.242152 (E_RNA)
where:
Base-Base interactions energy: -1255.434
where: short stacking energy: -518.313
Base-Backbone interact. energy: -2.252
local terms energy: -521.556427
where:
bonds (distance) C4'-P energy: -99.820
bonds (distance) P-C4' energy: -94.479
flat angles C4'-P-C4' energy: -105.292
flat angles P-C4'-P energy: -76.864
tors. eta vs tors. theta energy: -145.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1687.777341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.777341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.777341 (E_RNA)
where:
Base-Base interactions energy: -1136.620
where: short stacking energy: -506.923
Base-Backbone interact. energy: -0.764
local terms energy: -550.393437
where:
bonds (distance) C4'-P energy: -104.593
bonds (distance) P-C4' energy: -102.379
flat angles C4'-P-C4' energy: -108.547
flat angles P-C4'-P energy: -82.152
tors. eta vs tors. theta energy: -152.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1608.661319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.661319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.661319 (E_RNA)
where:
Base-Base interactions energy: -1086.204
where: short stacking energy: -516.021
Base-Backbone interact. energy: 0.804
local terms energy: -523.260638
where:
bonds (distance) C4'-P energy: -100.914
bonds (distance) P-C4' energy: -89.212
flat angles C4'-P-C4' energy: -116.930
flat angles P-C4'-P energy: -79.791
tors. eta vs tors. theta energy: -136.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1523.423731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.423731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.423731 (E_RNA)
where:
Base-Base interactions energy: -1045.420
where: short stacking energy: -451.764
Base-Backbone interact. energy: -1.758
local terms energy: -476.245235
where:
bonds (distance) C4'-P energy: -93.134
bonds (distance) P-C4' energy: -86.863
flat angles C4'-P-C4' energy: -106.152
flat angles P-C4'-P energy: -59.741
tors. eta vs tors. theta energy: -130.355
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: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1435.332668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.332668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.332668 (E_RNA)
where:
Base-Base interactions energy: -967.533
where: short stacking energy: -419.544
Base-Backbone interact. energy: 2.146
local terms energy: -469.945813
where:
bonds (distance) C4'-P energy: -96.875
bonds (distance) P-C4' energy: -98.636
flat angles C4'-P-C4' energy: -95.180
flat angles P-C4'-P energy: -63.962
tors. eta vs tors. theta energy: -115.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1318.057949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.057949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.057949 (E_RNA)
where:
Base-Base interactions energy: -869.454
where: short stacking energy: -381.212
Base-Backbone interact. energy: -0.835
local terms energy: -447.768385
where:
bonds (distance) C4'-P energy: -91.190
bonds (distance) P-C4' energy: -101.642
flat angles C4'-P-C4' energy: -101.123
flat angles P-C4'-P energy: -55.179
tors. eta vs tors. theta energy: -98.634
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: 3
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -999.669426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.669426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.669426 (E_RNA)
where:
Base-Base interactions energy: -628.392
where: short stacking energy: -308.049
Base-Backbone interact. energy: 0.850
local terms energy: -372.128284
where:
bonds (distance) C4'-P energy: -78.469
bonds (distance) P-C4' energy: -85.200
flat angles C4'-P-C4' energy: -98.756
flat angles P-C4'-P energy: -58.786
tors. eta vs tors. theta energy: -50.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -767.760470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.760470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.760470 (E_RNA)
where:
Base-Base interactions energy: -425.740
where: short stacking energy: -229.777
Base-Backbone interact. energy: -0.204
local terms energy: -341.817247
where:
bonds (distance) C4'-P energy: -80.806
bonds (distance) P-C4' energy: -97.747
flat angles C4'-P-C4' energy: -94.547
flat angles P-C4'-P energy: -52.829
tors. eta vs tors. theta energy: -15.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -592.305610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.305610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.305610 (E_RNA)
where:
Base-Base interactions energy: -298.789
where: short stacking energy: -135.578
Base-Backbone interact. energy: -2.140
local terms energy: -291.376623
where:
bonds (distance) C4'-P energy: -80.270
bonds (distance) P-C4' energy: -90.148
flat angles C4'-P-C4' energy: -66.951
flat angles P-C4'-P energy: -56.494
tors. eta vs tors. theta energy: 2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1828.462089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.462089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.462089 (E_RNA)
where:
Base-Base interactions energy: -1258.746
where: short stacking energy: -533.090
Base-Backbone interact. energy: -4.759
local terms energy: -564.957103
where:
bonds (distance) C4'-P energy: -99.926
bonds (distance) P-C4' energy: -101.480
flat angles C4'-P-C4' energy: -129.027
flat angles P-C4'-P energy: -88.413
tors. eta vs tors. theta energy: -146.110
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: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1809.116497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.116497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.116497 (E_RNA)
where:
Base-Base interactions energy: -1250.656
where: short stacking energy: -528.139
Base-Backbone interact. energy: -4.311
local terms energy: -554.148974
where:
bonds (distance) C4'-P energy: -91.556
bonds (distance) P-C4' energy: -111.105
flat angles C4'-P-C4' energy: -121.582
flat angles P-C4'-P energy: -84.862
tors. eta vs tors. theta energy: -145.044
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: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1682.330717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.330717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.330717 (E_RNA)
where:
Base-Base interactions energy: -1139.077
where: short stacking energy: -520.239
Base-Backbone interact. energy: -0.127
local terms energy: -543.126541
where:
bonds (distance) C4'-P energy: -100.286
bonds (distance) P-C4' energy: -107.665
flat angles C4'-P-C4' energy: -112.386
flat angles P-C4'-P energy: -77.459
tors. eta vs tors. theta energy: -145.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1603.674954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.674954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.674954 (E_RNA)
where:
Base-Base interactions energy: -1089.794
where: short stacking energy: -489.610
Base-Backbone interact. energy: 0.052
local terms energy: -513.933406
where:
bonds (distance) C4'-P energy: -94.527
bonds (distance) P-C4' energy: -92.394
flat angles C4'-P-C4' energy: -111.019
flat angles P-C4'-P energy: -73.583
tors. eta vs tors. theta energy: -142.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1487.005384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.005384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.005384 (E_RNA)
where:
Base-Base interactions energy: -994.857
where: short stacking energy: -453.557
Base-Backbone interact. energy: 0.139
local terms energy: -492.287056
where:
bonds (distance) C4'-P energy: -92.711
bonds (distance) P-C4' energy: -90.383
flat angles C4'-P-C4' energy: -111.924
flat angles P-C4'-P energy: -78.817
tors. eta vs tors. theta energy: -118.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1478.150175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.150175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.150175 (E_RNA)
where:
Base-Base interactions energy: -993.064
where: short stacking energy: -427.609
Base-Backbone interact. energy: -3.097
local terms energy: -481.988718
where:
bonds (distance) C4'-P energy: -98.390
bonds (distance) P-C4' energy: -96.633
flat angles C4'-P-C4' energy: -111.263
flat angles P-C4'-P energy: -61.183
tors. eta vs tors. theta energy: -114.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1318.896946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.896946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.896946 (E_RNA)
where:
Base-Base interactions energy: -892.916
where: short stacking energy: -382.360
Base-Backbone interact. energy: -1.745
local terms energy: -424.235996
where:
bonds (distance) C4'-P energy: -79.102
bonds (distance) P-C4' energy: -79.321
flat angles C4'-P-C4' energy: -111.346
flat angles P-C4'-P energy: -60.364
tors. eta vs tors. theta energy: -94.103
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: 3
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1031.973114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.973114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.973114 (E_RNA)
where:
Base-Base interactions energy: -648.477
where: short stacking energy: -279.810
Base-Backbone interact. energy: -1.889
local terms energy: -381.607329
where:
bonds (distance) C4'-P energy: -82.051
bonds (distance) P-C4' energy: -98.950
flat angles C4'-P-C4' energy: -92.151
flat angles P-C4'-P energy: -55.239
tors. eta vs tors. theta energy: -53.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -781.369184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.369184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.369184 (E_RNA)
where:
Base-Base interactions energy: -444.511
where: short stacking energy: -226.061
Base-Backbone interact. energy: 4.813
local terms energy: -341.671072
where:
bonds (distance) C4'-P energy: -81.401
bonds (distance) P-C4' energy: -103.374
flat angles C4'-P-C4' energy: -65.773
flat angles P-C4'-P energy: -52.762
tors. eta vs tors. theta energy: -38.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -659.539158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.539158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.539158 (E_RNA)
where:
Base-Base interactions energy: -348.107
where: short stacking energy: -188.520
Base-Backbone interact. energy: 0.412
local terms energy: -311.843739
where:
bonds (distance) C4'-P energy: -97.745
bonds (distance) P-C4' energy: -94.341
flat angles C4'-P-C4' energy: -64.818
flat angles P-C4'-P energy: -51.313
tors. eta vs tors. theta energy: -3.627
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: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1869.185318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.185318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.185318 (E_RNA)
where:
Base-Base interactions energy: -1287.806
where: short stacking energy: -544.484
Base-Backbone interact. energy: 0.129
local terms energy: -581.508658
where:
bonds (distance) C4'-P energy: -108.519
bonds (distance) P-C4' energy: -107.220
flat angles C4'-P-C4' energy: -129.792
flat angles P-C4'-P energy: -81.688
tors. eta vs tors. theta energy: -154.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1820.856482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.856482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.856482 (E_RNA)
where:
Base-Base interactions energy: -1268.901
where: short stacking energy: -526.433
Base-Backbone interact. energy: -2.034
local terms energy: -549.921923
where:
bonds (distance) C4'-P energy: -88.235
bonds (distance) P-C4' energy: -115.922
flat angles C4'-P-C4' energy: -115.337
flat angles P-C4'-P energy: -81.604
tors. eta vs tors. theta energy: -148.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1697.860122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.860122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.860122 (E_RNA)
where:
Base-Base interactions energy: -1134.681
where: short stacking energy: -498.032
Base-Backbone interact. energy: 0.598
local terms energy: -563.776875
where:
bonds (distance) C4'-P energy: -103.086
bonds (distance) P-C4' energy: -100.987
flat angles C4'-P-C4' energy: -115.683
flat angles P-C4'-P energy: -89.527
tors. eta vs tors. theta energy: -154.495
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: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1601.860583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.860583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.860583 (E_RNA)
where:
Base-Base interactions energy: -1116.499
where: short stacking energy: -491.451
Base-Backbone interact. energy: -0.745
local terms energy: -484.616644
where:
bonds (distance) C4'-P energy: -82.278
bonds (distance) P-C4' energy: -87.325
flat angles C4'-P-C4' energy: -100.840
flat angles P-C4'-P energy: -76.348
tors. eta vs tors. theta energy: -137.827
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: 6
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1496.008206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.008206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.008206 (E_RNA)
where:
Base-Base interactions energy: -997.292
where: short stacking energy: -425.566
Base-Backbone interact. energy: -0.787
local terms energy: -497.929184
where:
bonds (distance) C4'-P energy: -91.562
bonds (distance) P-C4' energy: -111.117
flat angles C4'-P-C4' energy: -115.558
flat angles P-C4'-P energy: -69.592
tors. eta vs tors. theta energy: -110.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1385.120797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.120797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.120797 (E_RNA)
where:
Base-Base interactions energy: -910.599
where: short stacking energy: -415.787
Base-Backbone interact. energy: -1.697
local terms energy: -472.824044
where:
bonds (distance) C4'-P energy: -106.627
bonds (distance) P-C4' energy: -87.172
flat angles C4'-P-C4' energy: -104.150
flat angles P-C4'-P energy: -69.616
tors. eta vs tors. theta energy: -105.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1341.949517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.949517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.949517 (E_RNA)
where:
Base-Base interactions energy: -869.489
where: short stacking energy: -371.944
Base-Backbone interact. energy: -2.152
local terms energy: -470.308710
where:
bonds (distance) C4'-P energy: -95.897
bonds (distance) P-C4' energy: -101.901
flat angles C4'-P-C4' energy: -102.471
flat angles P-C4'-P energy: -64.654
tors. eta vs tors. theta energy: -105.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1037.908762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.908762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.908762 (E_RNA)
where:
Base-Base interactions energy: -653.505
where: short stacking energy: -312.336
Base-Backbone interact. energy: 0.283
local terms energy: -384.686322
where:
bonds (distance) C4'-P energy: -96.363
bonds (distance) P-C4' energy: -83.693
flat angles C4'-P-C4' energy: -88.966
flat angles P-C4'-P energy: -58.480
tors. eta vs tors. theta energy: -57.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -736.295934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.295934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.295934 (E_RNA)
where:
Base-Base interactions energy: -401.934
where: short stacking energy: -228.570
Base-Backbone interact. energy: -1.544
local terms energy: -332.817426
where:
bonds (distance) C4'-P energy: -87.757
bonds (distance) P-C4' energy: -82.333
flat angles C4'-P-C4' energy: -81.862
flat angles P-C4'-P energy: -63.638
tors. eta vs tors. theta energy: -17.228
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: 317
Temperature: 1.350000
Total energy: -575.167408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.167408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.167408 (E_RNA)
where:
Base-Base interactions energy: -280.999
where: short stacking energy: -156.298
Base-Backbone interact. energy: -2.189
local terms energy: -291.979808
where:
bonds (distance) C4'-P energy: -64.928
bonds (distance) P-C4' energy: -90.428
flat angles C4'-P-C4' energy: -85.092
flat angles P-C4'-P energy: -54.542
tors. eta vs tors. theta energy: 3.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1851.357715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.357715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.357715 (E_RNA)
where:
Base-Base interactions energy: -1256.218
where: short stacking energy: -522.479
Base-Backbone interact. energy: -1.957
local terms energy: -593.182219
where:
bonds (distance) C4'-P energy: -118.436
bonds (distance) P-C4' energy: -119.341
flat angles C4'-P-C4' energy: -125.710
flat angles P-C4'-P energy: -76.381
tors. eta vs tors. theta energy: -153.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1842.209496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.209496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.209496 (E_RNA)
where:
Base-Base interactions energy: -1300.716
where: short stacking energy: -535.312
Base-Backbone interact. energy: -2.213
local terms energy: -539.280633
where:
bonds (distance) C4'-P energy: -93.672
bonds (distance) P-C4' energy: -108.484
flat angles C4'-P-C4' energy: -120.023
flat angles P-C4'-P energy: -68.173
tors. eta vs tors. theta energy: -148.928
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: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1669.804085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.804085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.804085 (E_RNA)
where:
Base-Base interactions energy: -1133.392
where: short stacking energy: -506.670
Base-Backbone interact. energy: 1.482
local terms energy: -537.894497
where:
bonds (distance) C4'-P energy: -95.788
bonds (distance) P-C4' energy: -103.859
flat angles C4'-P-C4' energy: -112.755
flat angles P-C4'-P energy: -80.520
tors. eta vs tors. theta energy: -144.972
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: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1612.810206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.810206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.810206 (E_RNA)
where:
Base-Base interactions energy: -1084.307
where: short stacking energy: -484.274
Base-Backbone interact. energy: 0.635
local terms energy: -529.138626
where:
bonds (distance) C4'-P energy: -98.141
bonds (distance) P-C4' energy: -106.641
flat angles C4'-P-C4' energy: -112.870
flat angles P-C4'-P energy: -86.691
tors. eta vs tors. theta energy: -124.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1500.550623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.550623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.550623 (E_RNA)
where:
Base-Base interactions energy: -1016.632
where: short stacking energy: -417.279
Base-Backbone interact. energy: 0.430
local terms energy: -484.348826
where:
bonds (distance) C4'-P energy: -103.956
bonds (distance) P-C4' energy: -112.006
flat angles C4'-P-C4' energy: -90.506
flat angles P-C4'-P energy: -64.578
tors. eta vs tors. theta energy: -113.303
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: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1332.305922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.305922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.305922 (E_RNA)
where:
Base-Base interactions energy: -879.824
where: short stacking energy: -378.575
Base-Backbone interact. energy: 0.614
local terms energy: -453.095150
where:
bonds (distance) C4'-P energy: -95.232
bonds (distance) P-C4' energy: -104.796
flat angles C4'-P-C4' energy: -108.103
flat angles P-C4'-P energy: -49.890
tors. eta vs tors. theta energy: -95.073
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: 7, replica: 4
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1313.207013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.207013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.207013 (E_RNA)
where:
Base-Base interactions energy: -906.898
where: short stacking energy: -379.983
Base-Backbone interact. energy: 1.203
local terms energy: -407.511221
where:
bonds (distance) C4'-P energy: -76.737
bonds (distance) P-C4' energy: -71.021
flat angles C4'-P-C4' energy: -106.054
flat angles P-C4'-P energy: -70.736
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: 8, replica: 3
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1020.196634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.196634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.196634 (E_RNA)
where:
Base-Base interactions energy: -617.909
where: short stacking energy: -278.656
Base-Backbone interact. energy: -2.599
local terms energy: -399.688778
where:
bonds (distance) C4'-P energy: -96.999
bonds (distance) P-C4' energy: -112.291
flat angles C4'-P-C4' energy: -96.663
flat angles P-C4'-P energy: -49.210
tors. eta vs tors. theta energy: -44.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -692.147308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.147308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.147308 (E_RNA)
where:
Base-Base interactions energy: -382.369
where: short stacking energy: -208.424
Base-Backbone interact. energy: -0.718
local terms energy: -309.060274
where:
bonds (distance) C4'-P energy: -85.951
bonds (distance) P-C4' energy: -104.924
flat angles C4'-P-C4' energy: -58.585
flat angles P-C4'-P energy: -35.914
tors. eta vs tors. theta energy: -23.687
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: 318
Temperature: 1.350000
Total energy: -618.540873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.540873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.540873 (E_RNA)
where:
Base-Base interactions energy: -330.590
where: short stacking energy: -169.425
Base-Backbone interact. energy: 3.031
local terms energy: -290.981881
where:
bonds (distance) C4'-P energy: -90.331
bonds (distance) P-C4' energy: -78.945
flat angles C4'-P-C4' energy: -79.888
flat angles P-C4'-P energy: -47.033
tors. eta vs tors. theta energy: 5.215
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: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1833.591812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.591812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.591812 (E_RNA)
where:
Base-Base interactions energy: -1278.288
where: short stacking energy: -529.993
Base-Backbone interact. energy: -1.666
local terms energy: -553.637975
where:
bonds (distance) C4'-P energy: -112.382
bonds (distance) P-C4' energy: -110.556
flat angles C4'-P-C4' energy: -114.981
flat angles P-C4'-P energy: -76.184
tors. eta vs tors. theta energy: -139.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1830.304988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.304988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.304988 (E_RNA)
where:
Base-Base interactions energy: -1293.564
where: short stacking energy: -549.318
Base-Backbone interact. energy: -4.117
local terms energy: -532.624062
where:
bonds (distance) C4'-P energy: -93.488
bonds (distance) P-C4' energy: -99.036
flat angles C4'-P-C4' energy: -124.213
flat angles P-C4'-P energy: -66.332
tors. eta vs tors. theta energy: -149.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1695.950309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.950309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.950309 (E_RNA)
where:
Base-Base interactions energy: -1133.876
where: short stacking energy: -497.600
Base-Backbone interact. energy: -3.574
local terms energy: -558.500143
where:
bonds (distance) C4'-P energy: -111.567
bonds (distance) P-C4' energy: -98.100
flat angles C4'-P-C4' energy: -113.417
flat angles P-C4'-P energy: -88.895
tors. eta vs tors. theta energy: -146.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1597.407034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.407034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.407034 (E_RNA)
where:
Base-Base interactions energy: -1076.695
where: short stacking energy: -467.152
Base-Backbone interact. energy: -1.560
local terms energy: -519.151980
where:
bonds (distance) C4'-P energy: -90.498
bonds (distance) P-C4' energy: -112.724
flat angles C4'-P-C4' energy: -105.348
flat angles P-C4'-P energy: -80.234
tors. eta vs tors. theta energy: -130.349
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: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1482.965999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.965999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.965999 (E_RNA)
where:
Base-Base interactions energy: -998.530
where: short stacking energy: -424.316
Base-Backbone interact. energy: 0.072
local terms energy: -484.508749
where:
bonds (distance) C4'-P energy: -105.522
bonds (distance) P-C4' energy: -87.509
flat angles C4'-P-C4' energy: -103.233
flat angles P-C4'-P energy: -71.727
tors. eta vs tors. theta energy: -116.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1360.512948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.512948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.512948 (E_RNA)
where:
Base-Base interactions energy: -898.470
where: short stacking energy: -375.113
Base-Backbone interact. energy: -0.414
local terms energy: -461.629015
where:
bonds (distance) C4'-P energy: -91.016
bonds (distance) P-C4' energy: -102.216
flat angles C4'-P-C4' energy: -102.368
flat angles P-C4'-P energy: -65.618
tors. eta vs tors. theta energy: -100.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1329.739252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.739252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.739252 (E_RNA)
where:
Base-Base interactions energy: -875.510
where: short stacking energy: -350.354
Base-Backbone interact. energy: -0.523
local terms energy: -453.705505
where:
bonds (distance) C4'-P energy: -89.255
bonds (distance) P-C4' energy: -110.238
flat angles C4'-P-C4' energy: -95.562
flat angles P-C4'-P energy: -53.235
tors. eta vs tors. theta energy: -105.414
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: 319
Temperature: 1.250000
Total energy: -1006.128043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.128043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.128043 (E_RNA)
where:
Base-Base interactions energy: -614.880
where: short stacking energy: -279.686
Base-Backbone interact. energy: 1.911
local terms energy: -393.158455
where:
bonds (distance) C4'-P energy: -94.181
bonds (distance) P-C4' energy: -100.858
flat angles C4'-P-C4' energy: -101.662
flat angles P-C4'-P energy: -42.173
tors. eta vs tors. theta energy: -54.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -650.490875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.490875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.490875 (E_RNA)
where:
Base-Base interactions energy: -333.833
where: short stacking energy: -183.418
Base-Backbone interact. energy: 1.039
local terms energy: -317.696970
where:
bonds (distance) C4'-P energy: -75.591
bonds (distance) P-C4' energy: -104.288
flat angles C4'-P-C4' energy: -80.269
flat angles P-C4'-P energy: -41.208
tors. eta vs tors. theta energy: -16.340
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: 319
Temperature: 1.350000
Total energy: -574.937807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.937807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.937807 (E_RNA)
where:
Base-Base interactions energy: -266.499
where: short stacking energy: -126.254
Base-Backbone interact. energy: 3.782
local terms energy: -312.220998
where:
bonds (distance) C4'-P energy: -99.295
bonds (distance) P-C4' energy: -99.492
flat angles C4'-P-C4' energy: -83.605
flat angles P-C4'-P energy: -44.617
tors. eta vs tors. theta energy: 14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1882.979781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.979781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.979781 (E_RNA)
where:
Base-Base interactions energy: -1295.307
where: short stacking energy: -540.210
Base-Backbone interact. energy: -7.284
local terms energy: -580.388744
where:
bonds (distance) C4'-P energy: -109.518
bonds (distance) P-C4' energy: -108.131
flat angles C4'-P-C4' energy: -130.992
flat angles P-C4'-P energy: -85.530
tors. eta vs tors. theta energy: -146.217
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: 1
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1788.738922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.738922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.738922 (E_RNA)
where:
Base-Base interactions energy: -1236.343
where: short stacking energy: -496.873
Base-Backbone interact. energy: -3.340
local terms energy: -549.056373
where:
bonds (distance) C4'-P energy: -100.046
bonds (distance) P-C4' energy: -100.530
flat angles C4'-P-C4' energy: -121.422
flat angles P-C4'-P energy: -83.749
tors. eta vs tors. theta energy: -143.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1674.553386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.553386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.553386 (E_RNA)
where:
Base-Base interactions energy: -1136.546
where: short stacking energy: -487.759
Base-Backbone interact. energy: 0.922
local terms energy: -538.928729
where:
bonds (distance) C4'-P energy: -100.208
bonds (distance) P-C4' energy: -95.600
flat angles C4'-P-C4' energy: -117.222
flat angles P-C4'-P energy: -82.271
tors. eta vs tors. theta energy: -143.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1608.412552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.412552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.412552 (E_RNA)
where:
Base-Base interactions energy: -1077.523
where: short stacking energy: -471.578
Base-Backbone interact. energy: -1.258
local terms energy: -529.632080
where:
bonds (distance) C4'-P energy: -108.939
bonds (distance) P-C4' energy: -102.374
flat angles C4'-P-C4' energy: -114.563
flat angles P-C4'-P energy: -74.443
tors. eta vs tors. theta energy: -129.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1561.927820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.927820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.927820 (E_RNA)
where:
Base-Base interactions energy: -1081.327
where: short stacking energy: -472.515
Base-Backbone interact. energy: -1.781
local terms energy: -478.819807
where:
bonds (distance) C4'-P energy: -100.527
bonds (distance) P-C4' energy: -91.175
flat angles C4'-P-C4' energy: -100.335
flat angles P-C4'-P energy: -66.629
tors. eta vs tors. theta energy: -120.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1361.388095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.388095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.388095 (E_RNA)
where:
Base-Base interactions energy: -918.750
where: short stacking energy: -387.454
Base-Backbone interact. energy: 5.630
local terms energy: -448.268438
where:
bonds (distance) C4'-P energy: -88.005
bonds (distance) P-C4' energy: -88.891
flat angles C4'-P-C4' energy: -112.006
flat angles P-C4'-P energy: -59.855
tors. eta vs tors. theta energy: -99.512
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: 9
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1321.466522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.466522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.466522 (E_RNA)
where:
Base-Base interactions energy: -882.042
where: short stacking energy: -363.693
Base-Backbone interact. energy: -2.931
local terms energy: -436.493956
where:
bonds (distance) C4'-P energy: -79.434
bonds (distance) P-C4' energy: -97.309
flat angles C4'-P-C4' energy: -100.509
flat angles P-C4'-P energy: -67.882
tors. eta vs tors. theta energy: -91.359
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: 8, replica: 3
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1020.727994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.727994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.727994 (E_RNA)
where:
Base-Base interactions energy: -628.149
where: short stacking energy: -301.315
Base-Backbone interact. energy: -0.923
local terms energy: -391.656244
where:
bonds (distance) C4'-P energy: -89.761
bonds (distance) P-C4' energy: -88.624
flat angles C4'-P-C4' energy: -104.836
flat angles P-C4'-P energy: -56.934
tors. eta vs tors. theta energy: -51.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -707.261630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.261630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.261630 (E_RNA)
where:
Base-Base interactions energy: -378.497
where: short stacking energy: -197.702
Base-Backbone interact. energy: 4.744
local terms energy: -333.508437
where:
bonds (distance) C4'-P energy: -98.189
bonds (distance) P-C4' energy: -95.559
flat angles C4'-P-C4' energy: -76.990
flat angles P-C4'-P energy: -44.998
tors. eta vs tors. theta energy: -17.771
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: 320
Temperature: 1.350000
Total energy: -510.778527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.778527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.778527 (E_RNA)
where:
Base-Base interactions energy: -233.814
where: short stacking energy: -141.344
Base-Backbone interact. energy: 0.721
local terms energy: -277.685000
where:
bonds (distance) C4'-P energy: -78.396
bonds (distance) P-C4' energy: -95.263
flat angles C4'-P-C4' energy: -70.572
flat angles P-C4'-P energy: -43.944
tors. eta vs tors. theta energy: 10.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1864.518673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.518673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.518673 (E_RNA)
where:
Base-Base interactions energy: -1316.812
where: short stacking energy: -540.485
Base-Backbone interact. energy: -4.658
local terms energy: -543.048234
where:
bonds (distance) C4'-P energy: -91.357
bonds (distance) P-C4' energy: -101.170
flat angles C4'-P-C4' energy: -129.213
flat angles P-C4'-P energy: -76.777
tors. eta vs tors. theta energy: -144.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1781.055060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.055060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.055060 (E_RNA)
where:
Base-Base interactions energy: -1226.085
where: short stacking energy: -505.784
Base-Backbone interact. energy: -0.641
local terms energy: -554.328619
where:
bonds (distance) C4'-P energy: -106.634
bonds (distance) P-C4' energy: -117.101
flat angles C4'-P-C4' energy: -114.291
flat angles P-C4'-P energy: -83.430
tors. eta vs tors. theta energy: -132.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1690.687527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.687527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.687527 (E_RNA)
where:
Base-Base interactions energy: -1140.665
where: short stacking energy: -516.035
Base-Backbone interact. energy: -3.484
local terms energy: -546.537859
where:
bonds (distance) C4'-P energy: -97.287
bonds (distance) P-C4' energy: -118.206
flat angles C4'-P-C4' energy: -116.629
flat angles P-C4'-P energy: -75.092
tors. eta vs tors. theta energy: -139.324
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: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1593.688548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.688548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.688548 (E_RNA)
where:
Base-Base interactions energy: -1062.276
where: short stacking energy: -463.516
Base-Backbone interact. energy: -2.769
local terms energy: -528.643539
where:
bonds (distance) C4'-P energy: -104.018
bonds (distance) P-C4' energy: -99.501
flat angles C4'-P-C4' energy: -113.817
flat angles P-C4'-P energy: -72.955
tors. eta vs tors. theta energy: -138.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1520.894465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.894465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.894465 (E_RNA)
where:
Base-Base interactions energy: -1050.876
where: short stacking energy: -477.736
Base-Backbone interact. energy: 3.698
local terms energy: -473.716764
where:
bonds (distance) C4'-P energy: -96.345
bonds (distance) P-C4' energy: -89.528
flat angles C4'-P-C4' energy: -106.440
flat angles P-C4'-P energy: -65.619
tors. eta vs tors. theta energy: -115.784
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: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1359.086748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.086748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.086748 (E_RNA)
where:
Base-Base interactions energy: -919.832
where: short stacking energy: -401.581
Base-Backbone interact. energy: 0.205
local terms energy: -439.459992
where:
bonds (distance) C4'-P energy: -84.427
bonds (distance) P-C4' energy: -102.828
flat angles C4'-P-C4' energy: -96.892
flat angles P-C4'-P energy: -60.138
tors. eta vs tors. theta energy: -95.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1347.764812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.764812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.764812 (E_RNA)
where:
Base-Base interactions energy: -898.516
where: short stacking energy: -400.104
Base-Backbone interact. energy: -0.298
local terms energy: -448.951117
where:
bonds (distance) C4'-P energy: -91.009
bonds (distance) P-C4' energy: -96.762
flat angles C4'-P-C4' energy: -99.983
flat angles P-C4'-P energy: -63.945
tors. eta vs tors. theta energy: -97.252
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: 321
Temperature: 1.250000
Total energy: -1025.152755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.152755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.152755 (E_RNA)
where:
Base-Base interactions energy: -673.299
where: short stacking energy: -295.212
Base-Backbone interact. energy: -0.916
local terms energy: -350.937291
where:
bonds (distance) C4'-P energy: -78.178
bonds (distance) P-C4' energy: -102.711
flat angles C4'-P-C4' energy: -65.972
flat angles P-C4'-P energy: -59.456
tors. eta vs tors. theta energy: -44.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -673.605851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.605851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.605851 (E_RNA)
where:
Base-Base interactions energy: -389.988
where: short stacking energy: -195.227
Base-Backbone interact. energy: -1.153
local terms energy: -282.465588
where:
bonds (distance) C4'-P energy: -81.301
bonds (distance) P-C4' energy: -84.029
flat angles C4'-P-C4' energy: -84.668
flat angles P-C4'-P energy: -34.845
tors. eta vs tors. theta energy: 2.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -555.131237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.131237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.131237 (E_RNA)
where:
Base-Base interactions energy: -218.097
where: short stacking energy: -156.385
Base-Backbone interact. energy: -2.644
local terms energy: -334.389919
where:
bonds (distance) C4'-P energy: -97.595
bonds (distance) P-C4' energy: -89.081
flat angles C4'-P-C4' energy: -98.334
flat angles P-C4'-P energy: -56.751
tors. eta vs tors. theta energy: 7.371
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: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1889.166422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.166422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.166422 (E_RNA)
where:
Base-Base interactions energy: -1311.047
where: short stacking energy: -544.196
Base-Backbone interact. energy: -3.131
local terms energy: -574.988188
where:
bonds (distance) C4'-P energy: -116.270
bonds (distance) P-C4' energy: -103.759
flat angles C4'-P-C4' energy: -122.736
flat angles P-C4'-P energy: -83.391
tors. eta vs tors. theta energy: -148.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1813.125486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.125486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.125486 (E_RNA)
where:
Base-Base interactions energy: -1240.823
where: short stacking energy: -542.628
Base-Backbone interact. energy: -1.939
local terms energy: -570.363689
where:
bonds (distance) C4'-P energy: -92.229
bonds (distance) P-C4' energy: -106.736
flat angles C4'-P-C4' energy: -131.925
flat angles P-C4'-P energy: -83.307
tors. eta vs tors. theta energy: -156.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1643.197021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.197021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.197021 (E_RNA)
where:
Base-Base interactions energy: -1120.176
where: short stacking energy: -512.183
Base-Backbone interact. energy: -1.543
local terms energy: -521.478688
where:
bonds (distance) C4'-P energy: -103.127
bonds (distance) P-C4' energy: -94.484
flat angles C4'-P-C4' energy: -111.111
flat angles P-C4'-P energy: -73.981
tors. eta vs tors. theta energy: -138.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1652.113824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.113824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.113824 (E_RNA)
where:
Base-Base interactions energy: -1128.502
where: short stacking energy: -484.544
Base-Backbone interact. energy: -0.043
local terms energy: -523.568604
where:
bonds (distance) C4'-P energy: -106.259
bonds (distance) P-C4' energy: -114.168
flat angles C4'-P-C4' energy: -106.248
flat angles P-C4'-P energy: -61.480
tors. eta vs tors. theta energy: -135.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1502.842482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.842482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.842482 (E_RNA)
where:
Base-Base interactions energy: -1008.480
where: short stacking energy: -411.049
Base-Backbone interact. energy: -2.716
local terms energy: -491.647078
where:
bonds (distance) C4'-P energy: -101.655
bonds (distance) P-C4' energy: -105.583
flat angles C4'-P-C4' energy: -105.998
flat angles P-C4'-P energy: -64.886
tors. eta vs tors. theta energy: -113.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1325.179306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.179306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.179306 (E_RNA)
where:
Base-Base interactions energy: -892.481
where: short stacking energy: -388.988
Base-Backbone interact. energy: -1.644
local terms energy: -431.054718
where:
bonds (distance) C4'-P energy: -81.996
bonds (distance) P-C4' energy: -95.982
flat angles C4'-P-C4' energy: -92.772
flat angles P-C4'-P energy: -62.845
tors. eta vs tors. theta energy: -97.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1307.698362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.698362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.698362 (E_RNA)
where:
Base-Base interactions energy: -848.457
where: short stacking energy: -349.631
Base-Backbone interact. energy: 2.617
local terms energy: -461.858617
where:
bonds (distance) C4'-P energy: -102.792
bonds (distance) P-C4' energy: -113.862
flat angles C4'-P-C4' energy: -95.657
flat angles P-C4'-P energy: -63.335
tors. eta vs tors. theta energy: -86.214
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: 8, replica: 3
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1014.124233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.124233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.124233 (E_RNA)
where:
Base-Base interactions energy: -606.475
where: short stacking energy: -264.831
Base-Backbone interact. energy: -0.667
local terms energy: -406.982350
where:
bonds (distance) C4'-P energy: -110.496
bonds (distance) P-C4' energy: -86.491
flat angles C4'-P-C4' energy: -105.122
flat angles P-C4'-P energy: -67.298
tors. eta vs tors. theta energy: -37.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -668.561207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.561207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.561207 (E_RNA)
where:
Base-Base interactions energy: -379.049
where: short stacking energy: -187.687
Base-Backbone interact. energy: 1.840
local terms energy: -291.352293
where:
bonds (distance) C4'-P energy: -75.235
bonds (distance) P-C4' energy: -85.644
flat angles C4'-P-C4' energy: -69.510
flat angles P-C4'-P energy: -39.270
tors. eta vs tors. theta energy: -21.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -567.437302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.437302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.437302 (E_RNA)
where:
Base-Base interactions energy: -292.029
where: short stacking energy: -167.551
Base-Backbone interact. energy: -1.791
local terms energy: -273.617395
where:
bonds (distance) C4'-P energy: -80.633
bonds (distance) P-C4' energy: -80.768
flat angles C4'-P-C4' energy: -72.859
flat angles P-C4'-P energy: -33.342
tors. eta vs tors. theta energy: -6.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1847.366742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.366742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.366742 (E_RNA)
where:
Base-Base interactions energy: -1287.220
where: short stacking energy: -533.746
Base-Backbone interact. energy: -2.210
local terms energy: -557.936963
where:
bonds (distance) C4'-P energy: -108.637
bonds (distance) P-C4' energy: -103.307
flat angles C4'-P-C4' energy: -123.404
flat angles P-C4'-P energy: -73.530
tors. eta vs tors. theta energy: -149.058
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: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1822.940113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.940113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.940113 (E_RNA)
where:
Base-Base interactions energy: -1266.123
where: short stacking energy: -540.257
Base-Backbone interact. energy: -4.111
local terms energy: -552.706335
where:
bonds (distance) C4'-P energy: -103.996
bonds (distance) P-C4' energy: -102.685
flat angles C4'-P-C4' energy: -118.017
flat angles P-C4'-P energy: -75.369
tors. eta vs tors. theta energy: -152.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1635.880103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.880103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.880103 (E_RNA)
where:
Base-Base interactions energy: -1110.825
where: short stacking energy: -499.611
Base-Backbone interact. energy: 1.334
local terms energy: -526.389477
where:
bonds (distance) C4'-P energy: -89.041
bonds (distance) P-C4' energy: -111.508
flat angles C4'-P-C4' energy: -108.406
flat angles P-C4'-P energy: -67.909
tors. eta vs tors. theta energy: -149.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1618.374906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.374906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.374906 (E_RNA)
where:
Base-Base interactions energy: -1092.506
where: short stacking energy: -456.985
Base-Backbone interact. energy: -1.509
local terms energy: -524.359277
where:
bonds (distance) C4'-P energy: -103.802
bonds (distance) P-C4' energy: -103.164
flat angles C4'-P-C4' energy: -117.621
flat angles P-C4'-P energy: -68.592
tors. eta vs tors. theta energy: -131.180
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: 5, replica: 6
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1465.269223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.269223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.269223 (E_RNA)
where:
Base-Base interactions energy: -1028.672
where: short stacking energy: -441.219
Base-Backbone interact. energy: -0.051
local terms energy: -436.545901
where:
bonds (distance) C4'-P energy: -69.980
bonds (distance) P-C4' energy: -92.550
flat angles C4'-P-C4' energy: -104.628
flat angles P-C4'-P energy: -70.743
tors. eta vs tors. theta energy: -98.645
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: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1361.561448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.561448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.561448 (E_RNA)
where:
Base-Base interactions energy: -910.393
where: short stacking energy: -406.818
Base-Backbone interact. energy: 1.084
local terms energy: -452.252523
where:
bonds (distance) C4'-P energy: -89.554
bonds (distance) P-C4' energy: -90.832
flat angles C4'-P-C4' energy: -101.662
flat angles P-C4'-P energy: -54.898
tors. eta vs tors. theta energy: -115.307
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: 7, replica: 4
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1331.276668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.276668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.276668 (E_RNA)
where:
Base-Base interactions energy: -867.537
where: short stacking energy: -387.755
Base-Backbone interact. energy: 1.990
local terms energy: -465.729634
where:
bonds (distance) C4'-P energy: -100.803
bonds (distance) P-C4' energy: -109.420
flat angles C4'-P-C4' energy: -96.016
flat angles P-C4'-P energy: -58.343
tors. eta vs tors. theta energy: -101.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1031.421994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.421994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.421994 (E_RNA)
where:
Base-Base interactions energy: -644.301
where: short stacking energy: -304.675
Base-Backbone interact. energy: 1.019
local terms energy: -388.139872
where:
bonds (distance) C4'-P energy: -81.018
bonds (distance) P-C4' energy: -90.446
flat angles C4'-P-C4' energy: -98.811
flat angles P-C4'-P energy: -62.170
tors. eta vs tors. theta energy: -55.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -694.277170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.277170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.277170 (E_RNA)
where:
Base-Base interactions energy: -361.761
where: short stacking energy: -201.737
Base-Backbone interact. energy: 0.577
local terms energy: -333.093035
where:
bonds (distance) C4'-P energy: -88.045
bonds (distance) P-C4' energy: -93.353
flat angles C4'-P-C4' energy: -91.803
flat angles P-C4'-P energy: -42.594
tors. eta vs tors. theta energy: -17.298
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: 323
Temperature: 1.350000
Total energy: -587.266976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.266976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.266976 (E_RNA)
where:
Base-Base interactions energy: -292.691
where: short stacking energy: -171.213
Base-Backbone interact. energy: -0.939
local terms energy: -293.636760
where:
bonds (distance) C4'-P energy: -86.421
bonds (distance) P-C4' energy: -76.909
flat angles C4'-P-C4' energy: -72.239
flat angles P-C4'-P energy: -49.203
tors. eta vs tors. theta energy: -8.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1862.785774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.785774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.785774 (E_RNA)
where:
Base-Base interactions energy: -1300.411
where: short stacking energy: -509.143
Base-Backbone interact. energy: -3.848
local terms energy: -558.527060
where:
bonds (distance) C4'-P energy: -115.237
bonds (distance) P-C4' energy: -110.346
flat angles C4'-P-C4' energy: -122.195
flat angles P-C4'-P energy: -63.097
tors. eta vs tors. theta energy: -147.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1806.423949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.423949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.423949 (E_RNA)
where:
Base-Base interactions energy: -1230.989
where: short stacking energy: -503.747
Base-Backbone interact. energy: -1.046
local terms energy: -574.389224
where:
bonds (distance) C4'-P energy: -111.882
bonds (distance) P-C4' energy: -108.828
flat angles C4'-P-C4' energy: -112.419
flat angles P-C4'-P energy: -85.185
tors. eta vs tors. theta energy: -156.075
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: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1695.684038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.684038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.684038 (E_RNA)
where:
Base-Base interactions energy: -1138.805
where: short stacking energy: -514.160
Base-Backbone interact. energy: -1.424
local terms energy: -555.454913
where:
bonds (distance) C4'-P energy: -105.735
bonds (distance) P-C4' energy: -109.296
flat angles C4'-P-C4' energy: -122.396
flat angles P-C4'-P energy: -75.953
tors. eta vs tors. theta energy: -142.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1617.249665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.249665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.249665 (E_RNA)
where:
Base-Base interactions energy: -1095.417
where: short stacking energy: -490.851
Base-Backbone interact. energy: -0.338
local terms energy: -521.494435
where:
bonds (distance) C4'-P energy: -102.887
bonds (distance) P-C4' energy: -97.846
flat angles C4'-P-C4' energy: -107.053
flat angles P-C4'-P energy: -80.162
tors. eta vs tors. theta energy: -133.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1455.509549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.509549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.509549 (E_RNA)
where:
Base-Base interactions energy: -994.080
where: short stacking energy: -419.184
Base-Backbone interact. energy: -3.518
local terms energy: -457.911620
where:
bonds (distance) C4'-P energy: -89.902
bonds (distance) P-C4' energy: -99.207
flat angles C4'-P-C4' energy: -102.215
flat angles P-C4'-P energy: -67.250
tors. eta vs tors. theta energy: -99.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1341.698943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.698943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.698943 (E_RNA)
where:
Base-Base interactions energy: -905.916
where: short stacking energy: -382.469
Base-Backbone interact. energy: 1.043
local terms energy: -436.825457
where:
bonds (distance) C4'-P energy: -91.236
bonds (distance) P-C4' energy: -104.944
flat angles C4'-P-C4' energy: -104.914
flat angles P-C4'-P energy: -55.045
tors. eta vs tors. theta energy: -80.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1300.104234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.104234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.104234 (E_RNA)
where:
Base-Base interactions energy: -875.769
where: short stacking energy: -376.058
Base-Backbone interact. energy: -2.836
local terms energy: -421.500070
where:
bonds (distance) C4'-P energy: -76.022
bonds (distance) P-C4' energy: -100.101
flat angles C4'-P-C4' energy: -97.190
flat angles P-C4'-P energy: -69.812
tors. eta vs tors. theta energy: -78.375
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: 3
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1016.562291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.562291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.562291 (E_RNA)
where:
Base-Base interactions energy: -632.333
where: short stacking energy: -304.183
Base-Backbone interact. energy: -1.627
local terms energy: -382.602077
where:
bonds (distance) C4'-P energy: -86.335
bonds (distance) P-C4' energy: -102.248
flat angles C4'-P-C4' energy: -74.676
flat angles P-C4'-P energy: -53.802
tors. eta vs tors. theta energy: -65.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -699.572388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.572388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.572388 (E_RNA)
where:
Base-Base interactions energy: -372.254
where: short stacking energy: -204.149
Base-Backbone interact. energy: 1.772
local terms energy: -329.090144
where:
bonds (distance) C4'-P energy: -71.760
bonds (distance) P-C4' energy: -109.675
flat angles C4'-P-C4' energy: -99.331
flat angles P-C4'-P energy: -34.319
tors. eta vs tors. theta energy: -14.005
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: 324
Temperature: 1.350000
Total energy: -547.130856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.130856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.130856 (E_RNA)
where:
Base-Base interactions energy: -279.181
where: short stacking energy: -147.635
Base-Backbone interact. energy: 8.050
local terms energy: -275.999402
where:
bonds (distance) C4'-P energy: -88.108
bonds (distance) P-C4' energy: -87.758
flat angles C4'-P-C4' energy: -69.493
flat angles P-C4'-P energy: -36.216
tors. eta vs tors. theta energy: 5.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1886.442762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.442762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.442762 (E_RNA)
where:
Base-Base interactions energy: -1291.994
where: short stacking energy: -523.254
Base-Backbone interact. energy: -2.386
local terms energy: -592.062202
where:
bonds (distance) C4'-P energy: -118.885
bonds (distance) P-C4' energy: -105.965
flat angles C4'-P-C4' energy: -121.996
flat angles P-C4'-P energy: -89.152
tors. eta vs tors. theta energy: -156.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1814.640943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.640943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.640943 (E_RNA)
where:
Base-Base interactions energy: -1260.010
where: short stacking energy: -513.750
Base-Backbone interact. energy: -1.302
local terms energy: -553.329141
where:
bonds (distance) C4'-P energy: -109.515
bonds (distance) P-C4' energy: -91.065
flat angles C4'-P-C4' energy: -125.539
flat angles P-C4'-P energy: -83.581
tors. eta vs tors. theta energy: -143.628
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: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1678.098717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.098717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.098717 (E_RNA)
where:
Base-Base interactions energy: -1140.000
where: short stacking energy: -515.535
Base-Backbone interact. energy: -2.712
local terms energy: -535.387004
where:
bonds (distance) C4'-P energy: -81.639
bonds (distance) P-C4' energy: -108.044
flat angles C4'-P-C4' energy: -109.778
flat angles P-C4'-P energy: -85.042
tors. eta vs tors. theta energy: -150.884
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: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1591.509580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.509580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.509580 (E_RNA)
where:
Base-Base interactions energy: -1080.979
where: short stacking energy: -451.936
Base-Backbone interact. energy: -0.576
local terms energy: -509.954592
where:
bonds (distance) C4'-P energy: -99.215
bonds (distance) P-C4' energy: -87.597
flat angles C4'-P-C4' energy: -105.129
flat angles P-C4'-P energy: -78.620
tors. eta vs tors. theta energy: -139.394
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: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1473.452492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.452492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.452492 (E_RNA)
where:
Base-Base interactions energy: -974.988
where: short stacking energy: -426.651
Base-Backbone interact. energy: -5.230
local terms energy: -493.235036
where:
bonds (distance) C4'-P energy: -94.795
bonds (distance) P-C4' energy: -106.545
flat angles C4'-P-C4' energy: -115.802
flat angles P-C4'-P energy: -70.242
tors. eta vs tors. theta energy: -105.851
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: 9
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1424.633891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.633891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.633891 (E_RNA)
where:
Base-Base interactions energy: -969.197
where: short stacking energy: -405.616
Base-Backbone interact. energy: -1.143
local terms energy: -454.294537
where:
bonds (distance) C4'-P energy: -93.330
bonds (distance) P-C4' energy: -95.075
flat angles C4'-P-C4' energy: -109.807
flat angles P-C4'-P energy: -60.537
tors. eta vs tors. theta energy: -95.545
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: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1342.716288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.716288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.716288 (E_RNA)
where:
Base-Base interactions energy: -901.171
where: short stacking energy: -382.182
Base-Backbone interact. energy: 0.249
local terms energy: -441.794880
where:
bonds (distance) C4'-P energy: -82.855
bonds (distance) P-C4' energy: -109.060
flat angles C4'-P-C4' energy: -99.561
flat angles P-C4'-P energy: -51.209
tors. eta vs tors. theta energy: -99.109
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: 8, replica: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1029.650006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.650006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.650006 (E_RNA)
where:
Base-Base interactions energy: -662.320
where: short stacking energy: -300.788
Base-Backbone interact. energy: -0.868
local terms energy: -366.462512
where:
bonds (distance) C4'-P energy: -94.146
bonds (distance) P-C4' energy: -86.189
flat angles C4'-P-C4' energy: -76.166
flat angles P-C4'-P energy: -49.224
tors. eta vs tors. theta energy: -60.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -727.506365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.506365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.506365 (E_RNA)
where:
Base-Base interactions energy: -403.851
where: short stacking energy: -202.675
Base-Backbone interact. energy: -2.998
local terms energy: -320.657063
where:
bonds (distance) C4'-P energy: -79.835
bonds (distance) P-C4' energy: -94.405
flat angles C4'-P-C4' energy: -100.754
flat angles P-C4'-P energy: -25.455
tors. eta vs tors. theta energy: -20.208
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: 325
Temperature: 1.350000
Total energy: -521.502354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.502354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.502354 (E_RNA)
where:
Base-Base interactions energy: -224.203
where: short stacking energy: -138.498
Base-Backbone interact. energy: -2.204
local terms energy: -295.095738
where:
bonds (distance) C4'-P energy: -87.026
bonds (distance) P-C4' energy: -78.701
flat angles C4'-P-C4' energy: -74.121
flat angles P-C4'-P energy: -50.481
tors. eta vs tors. theta energy: -4.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1874.823984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.823984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.823984 (E_RNA)
where:
Base-Base interactions energy: -1323.043
where: short stacking energy: -563.714
Base-Backbone interact. energy: -7.393
local terms energy: -544.387218
where:
bonds (distance) C4'-P energy: -94.979
bonds (distance) P-C4' energy: -109.717
flat angles C4'-P-C4' energy: -116.077
flat angles P-C4'-P energy: -74.817
tors. eta vs tors. theta energy: -148.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1796.801991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.801991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.801991 (E_RNA)
where:
Base-Base interactions energy: -1261.350
where: short stacking energy: -519.061
Base-Backbone interact. energy: -5.445
local terms energy: -530.006260
where:
bonds (distance) C4'-P energy: -86.949
bonds (distance) P-C4' energy: -98.415
flat angles C4'-P-C4' energy: -118.926
flat angles P-C4'-P energy: -75.038
tors. eta vs tors. theta energy: -150.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1676.789736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.789736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.789736 (E_RNA)
where:
Base-Base interactions energy: -1149.645
where: short stacking energy: -510.242
Base-Backbone interact. energy: 0.826
local terms energy: -527.970935
where:
bonds (distance) C4'-P energy: -89.469
bonds (distance) P-C4' energy: -91.277
flat angles C4'-P-C4' energy: -114.558
flat angles P-C4'-P energy: -84.502
tors. eta vs tors. theta energy: -148.165
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: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1645.630172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.630172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.630172 (E_RNA)
where:
Base-Base interactions energy: -1093.372
where: short stacking energy: -481.494
Base-Backbone interact. energy: 1.137
local terms energy: -553.395098
where:
bonds (distance) C4'-P energy: -104.768
bonds (distance) P-C4' energy: -107.388
flat angles C4'-P-C4' energy: -118.961
flat angles P-C4'-P energy: -87.900
tors. eta vs tors. theta energy: -134.378
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: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1452.427268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.427268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.427268 (E_RNA)
where:
Base-Base interactions energy: -986.996
where: short stacking energy: -419.565
Base-Backbone interact. energy: -1.624
local terms energy: -463.807129
where:
bonds (distance) C4'-P energy: -83.897
bonds (distance) P-C4' energy: -96.907
flat angles C4'-P-C4' energy: -104.452
flat angles P-C4'-P energy: -77.060
tors. eta vs tors. theta energy: -101.491
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: 6, replica: 9
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1413.388417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.388417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.388417 (E_RNA)
where:
Base-Base interactions energy: -956.060
where: short stacking energy: -389.056
Base-Backbone interact. energy: 5.936
local terms energy: -463.264512
where:
bonds (distance) C4'-P energy: -98.407
bonds (distance) P-C4' energy: -84.946
flat angles C4'-P-C4' energy: -105.983
flat angles P-C4'-P energy: -71.301
tors. eta vs tors. theta energy: -102.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1287.166962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.166962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.166962 (E_RNA)
where:
Base-Base interactions energy: -852.576
where: short stacking energy: -385.115
Base-Backbone interact. energy: -2.170
local terms energy: -432.420897
where:
bonds (distance) C4'-P energy: -97.249
bonds (distance) P-C4' energy: -72.580
flat angles C4'-P-C4' energy: -94.873
flat angles P-C4'-P energy: -71.055
tors. eta vs tors. theta energy: -96.665
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: 3
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1034.538726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.538726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.538726 (E_RNA)
where:
Base-Base interactions energy: -677.721
where: short stacking energy: -309.036
Base-Backbone interact. energy: -2.283
local terms energy: -354.535042
where:
bonds (distance) C4'-P energy: -101.357
bonds (distance) P-C4' energy: -90.311
flat angles C4'-P-C4' energy: -76.512
flat angles P-C4'-P energy: -40.570
tors. eta vs tors. theta energy: -45.785
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: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -748.014185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.014185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.014185 (E_RNA)
where:
Base-Base interactions energy: -421.658
where: short stacking energy: -189.099
Base-Backbone interact. energy: 1.646
local terms energy: -328.002061
where:
bonds (distance) C4'-P energy: -85.389
bonds (distance) P-C4' energy: -95.069
flat angles C4'-P-C4' energy: -81.235
flat angles P-C4'-P energy: -56.737
tors. eta vs tors. theta energy: -9.572
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: 326
Temperature: 1.350000
Total energy: -499.040894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.040894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.040894 (E_RNA)
where:
Base-Base interactions energy: -218.187
where: short stacking energy: -149.893
Base-Backbone interact. energy: 1.169
local terms energy: -282.022629
where:
bonds (distance) C4'-P energy: -90.252
bonds (distance) P-C4' energy: -86.858
flat angles C4'-P-C4' energy: -67.892
flat angles P-C4'-P energy: -39.975
tors. eta vs tors. theta energy: 2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1894.618621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.618621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.618621 (E_RNA)
where:
Base-Base interactions energy: -1301.173
where: short stacking energy: -530.865
Base-Backbone interact. energy: -4.114
local terms energy: -589.331462
where:
bonds (distance) C4'-P energy: -108.561
bonds (distance) P-C4' energy: -119.170
flat angles C4'-P-C4' energy: -119.348
flat angles P-C4'-P energy: -84.037
tors. eta vs tors. theta energy: -158.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1809.987090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.987090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.987090 (E_RNA)
where:
Base-Base interactions energy: -1253.004
where: short stacking energy: -526.376
Base-Backbone interact. energy: -3.206
local terms energy: -553.777464
where:
bonds (distance) C4'-P energy: -105.537
bonds (distance) P-C4' energy: -113.334
flat angles C4'-P-C4' energy: -111.300
flat angles P-C4'-P energy: -71.141
tors. eta vs tors. theta energy: -152.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1686.142157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.142157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.142157 (E_RNA)
where:
Base-Base interactions energy: -1156.292
where: short stacking energy: -514.060
Base-Backbone interact. energy: 0.935
local terms energy: -530.785417
where:
bonds (distance) C4'-P energy: -97.596
bonds (distance) P-C4' energy: -94.971
flat angles C4'-P-C4' energy: -119.605
flat angles P-C4'-P energy: -79.031
tors. eta vs tors. theta energy: -139.584
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: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1670.874725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.874725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.874725 (E_RNA)
where:
Base-Base interactions energy: -1133.784
where: short stacking energy: -496.073
Base-Backbone interact. energy: 1.233
local terms energy: -538.323617
where:
bonds (distance) C4'-P energy: -104.825
bonds (distance) P-C4' energy: -95.915
flat angles C4'-P-C4' energy: -107.189
flat angles P-C4'-P energy: -79.820
tors. eta vs tors. theta energy: -150.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1447.311699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.311699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.311699 (E_RNA)
where:
Base-Base interactions energy: -945.192
where: short stacking energy: -406.018
Base-Backbone interact. energy: -0.129
local terms energy: -501.990764
where:
bonds (distance) C4'-P energy: -101.669
bonds (distance) P-C4' energy: -109.667
flat angles C4'-P-C4' energy: -112.774
flat angles P-C4'-P energy: -71.517
tors. eta vs tors. theta energy: -106.363
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: 327
Temperature: 1.150000
Total energy: -1372.780050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.780050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.780050 (E_RNA)
where:
Base-Base interactions energy: -922.184
where: short stacking energy: -383.827
Base-Backbone interact. energy: -1.404
local terms energy: -449.192057
where:
bonds (distance) C4'-P energy: -69.762
bonds (distance) P-C4' energy: -98.517
flat angles C4'-P-C4' energy: -118.601
flat angles P-C4'-P energy: -68.384
tors. eta vs tors. theta energy: -93.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1304.236962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.236962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.236962 (E_RNA)
where:
Base-Base interactions energy: -882.107
where: short stacking energy: -369.646
Base-Backbone interact. energy: -1.968
local terms energy: -420.161300
where:
bonds (distance) C4'-P energy: -75.147
bonds (distance) P-C4' energy: -88.285
flat angles C4'-P-C4' energy: -91.782
flat angles P-C4'-P energy: -72.903
tors. eta vs tors. theta energy: -92.045
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: 3
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1029.242436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.242436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.242436 (E_RNA)
where:
Base-Base interactions energy: -663.798
where: short stacking energy: -279.310
Base-Backbone interact. energy: 0.641
local terms energy: -366.085123
where:
bonds (distance) C4'-P energy: -94.011
bonds (distance) P-C4' energy: -81.354
flat angles C4'-P-C4' energy: -80.192
flat angles P-C4'-P energy: -61.220
tors. eta vs tors. theta energy: -49.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -736.759559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.759559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.759559 (E_RNA)
where:
Base-Base interactions energy: -395.401
where: short stacking energy: -205.494
Base-Backbone interact. energy: 3.564
local terms energy: -344.922539
where:
bonds (distance) C4'-P energy: -77.968
bonds (distance) P-C4' energy: -88.539
flat angles C4'-P-C4' energy: -86.251
flat angles P-C4'-P energy: -62.923
tors. eta vs tors. theta energy: -29.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -526.470292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.470292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.470292 (E_RNA)
where:
Base-Base interactions energy: -243.587
where: short stacking energy: -149.746
Base-Backbone interact. energy: -0.256
local terms energy: -282.626910
where:
bonds (distance) C4'-P energy: -96.356
bonds (distance) P-C4' energy: -93.945
flat angles C4'-P-C4' energy: -65.346
flat angles P-C4'-P energy: -43.499
tors. eta vs tors. theta energy: 16.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1856.243508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.243508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.243508 (E_RNA)
where:
Base-Base interactions energy: -1281.826
where: short stacking energy: -529.958
Base-Backbone interact. energy: -4.699
local terms energy: -569.719000
where:
bonds (distance) C4'-P energy: -100.525
bonds (distance) P-C4' energy: -107.621
flat angles C4'-P-C4' energy: -124.658
flat angles P-C4'-P energy: -83.625
tors. eta vs tors. theta energy: -153.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1785.380655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.380655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.380655 (E_RNA)
where:
Base-Base interactions energy: -1266.189
where: short stacking energy: -519.327
Base-Backbone interact. energy: 1.830
local terms energy: -521.021743
where:
bonds (distance) C4'-P energy: -96.897
bonds (distance) P-C4' energy: -88.792
flat angles C4'-P-C4' energy: -111.725
flat angles P-C4'-P energy: -77.327
tors. eta vs tors. theta energy: -146.282
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: 328
Temperature: 1.000000
Total energy: -1688.878639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.878639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.878639 (E_RNA)
where:
Base-Base interactions energy: -1141.394
where: short stacking energy: -512.591
Base-Backbone interact. energy: 3.024
local terms energy: -550.508203
where:
bonds (distance) C4'-P energy: -106.591
bonds (distance) P-C4' energy: -97.869
flat angles C4'-P-C4' energy: -128.078
flat angles P-C4'-P energy: -76.722
tors. eta vs tors. theta energy: -141.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1624.260293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.260293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.260293 (E_RNA)
where:
Base-Base interactions energy: -1109.237
where: short stacking energy: -507.371
Base-Backbone interact. energy: -1.222
local terms energy: -513.800807
where:
bonds (distance) C4'-P energy: -98.177
bonds (distance) P-C4' energy: -102.049
flat angles C4'-P-C4' energy: -104.793
flat angles P-C4'-P energy: -77.364
tors. eta vs tors. theta energy: -131.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1496.631758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.631758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.631758 (E_RNA)
where:
Base-Base interactions energy: -999.259
where: short stacking energy: -445.236
Base-Backbone interact. energy: -2.206
local terms energy: -495.167494
where:
bonds (distance) C4'-P energy: -94.545
bonds (distance) P-C4' energy: -99.010
flat angles C4'-P-C4' energy: -107.280
flat angles P-C4'-P energy: -72.961
tors. eta vs tors. theta energy: -121.372
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: 328
Temperature: 1.150000
Total energy: -1381.961606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.961606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.961606 (E_RNA)
where:
Base-Base interactions energy: -916.022
where: short stacking energy: -418.516
Base-Backbone interact. energy: -1.861
local terms energy: -464.077710
where:
bonds (distance) C4'-P energy: -86.795
bonds (distance) P-C4' energy: -98.327
flat angles C4'-P-C4' energy: -99.041
flat angles P-C4'-P energy: -74.024
tors. eta vs tors. theta energy: -105.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1310.453634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.453634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.453634 (E_RNA)
where:
Base-Base interactions energy: -879.139
where: short stacking energy: -369.691
Base-Backbone interact. energy: -0.075
local terms energy: -431.239961
where:
bonds (distance) C4'-P energy: -81.323
bonds (distance) P-C4' energy: -104.384
flat angles C4'-P-C4' energy: -91.915
flat angles P-C4'-P energy: -63.914
tors. eta vs tors. theta energy: -89.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1014.692822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.692822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.692822 (E_RNA)
where:
Base-Base interactions energy: -629.719
where: short stacking energy: -279.012
Base-Backbone interact. energy: -3.152
local terms energy: -381.821555
where:
bonds (distance) C4'-P energy: -92.701
bonds (distance) P-C4' energy: -94.674
flat angles C4'-P-C4' energy: -87.946
flat angles P-C4'-P energy: -63.861
tors. eta vs tors. theta energy: -42.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -710.107184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.107184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.107184 (E_RNA)
where:
Base-Base interactions energy: -390.680
where: short stacking energy: -191.258
Base-Backbone interact. energy: 4.388
local terms energy: -323.814787
where:
bonds (distance) C4'-P energy: -92.379
bonds (distance) P-C4' energy: -96.245
flat angles C4'-P-C4' energy: -76.988
flat angles P-C4'-P energy: -46.350
tors. eta vs tors. theta energy: -11.853
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: 328
Temperature: 1.350000
Total energy: -529.663066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.663066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.663066 (E_RNA)
where:
Base-Base interactions energy: -235.594
where: short stacking energy: -137.209
Base-Backbone interact. energy: 1.773
local terms energy: -295.841445
where:
bonds (distance) C4'-P energy: -86.204
bonds (distance) P-C4' energy: -98.628
flat angles C4'-P-C4' energy: -64.221
flat angles P-C4'-P energy: -42.745
tors. eta vs tors. theta energy: -4.043
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: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1851.763550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.763550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.763550 (E_RNA)
where:
Base-Base interactions energy: -1259.895
where: short stacking energy: -527.692
Base-Backbone interact. energy: -4.431
local terms energy: -587.438060
where:
bonds (distance) C4'-P energy: -112.204
bonds (distance) P-C4' energy: -119.553
flat angles C4'-P-C4' energy: -121.507
flat angles P-C4'-P energy: -83.400
tors. eta vs tors. theta energy: -150.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1784.851344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.851344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.851344 (E_RNA)
where:
Base-Base interactions energy: -1242.543
where: short stacking energy: -532.770
Base-Backbone interact. energy: -4.129
local terms energy: -538.179023
where:
bonds (distance) C4'-P energy: -106.167
bonds (distance) P-C4' energy: -103.246
flat angles C4'-P-C4' energy: -104.507
flat angles P-C4'-P energy: -73.074
tors. eta vs tors. theta energy: -151.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1730.580844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.580844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.580844 (E_RNA)
where:
Base-Base interactions energy: -1158.768
where: short stacking energy: -526.046
Base-Backbone interact. energy: 0.356
local terms energy: -572.168944
where:
bonds (distance) C4'-P energy: -108.421
bonds (distance) P-C4' energy: -106.159
flat angles C4'-P-C4' energy: -117.275
flat angles P-C4'-P energy: -87.906
tors. eta vs tors. theta energy: -152.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1562.069917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.069917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.069917 (E_RNA)
where:
Base-Base interactions energy: -1029.045
where: short stacking energy: -460.177
Base-Backbone interact. energy: -1.005
local terms energy: -532.020284
where:
bonds (distance) C4'-P energy: -93.767
bonds (distance) P-C4' energy: -108.623
flat angles C4'-P-C4' energy: -127.642
flat angles P-C4'-P energy: -71.056
tors. eta vs tors. theta energy: -130.931
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: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1593.486151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.486151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.486151 (E_RNA)
where:
Base-Base interactions energy: -1082.341
where: short stacking energy: -458.247
Base-Backbone interact. energy: 2.071
local terms energy: -513.215903
where:
bonds (distance) C4'-P energy: -99.332
bonds (distance) P-C4' energy: -101.040
flat angles C4'-P-C4' energy: -107.109
flat angles P-C4'-P energy: -87.096
tors. eta vs tors. theta energy: -118.639
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: 9
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1409.041634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.041634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.041634 (E_RNA)
where:
Base-Base interactions energy: -947.997
where: short stacking energy: -420.913
Base-Backbone interact. energy: -1.903
local terms energy: -459.141207
where:
bonds (distance) C4'-P energy: -100.135
bonds (distance) P-C4' energy: -88.404
flat angles C4'-P-C4' energy: -96.416
flat angles P-C4'-P energy: -72.028
tors. eta vs tors. theta energy: -102.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1282.224623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.224623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.224623 (E_RNA)
where:
Base-Base interactions energy: -849.067
where: short stacking energy: -356.350
Base-Backbone interact. energy: -3.709
local terms energy: -429.449127
where:
bonds (distance) C4'-P energy: -92.893
bonds (distance) P-C4' energy: -88.871
flat angles C4'-P-C4' energy: -114.405
flat angles P-C4'-P energy: -56.333
tors. eta vs tors. theta energy: -76.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1031.408096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.408096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.408096 (E_RNA)
where:
Base-Base interactions energy: -665.563
where: short stacking energy: -311.234
Base-Backbone interact. energy: -0.947
local terms energy: -364.897999
where:
bonds (distance) C4'-P energy: -81.013
bonds (distance) P-C4' energy: -77.665
flat angles C4'-P-C4' energy: -89.673
flat angles P-C4'-P energy: -63.982
tors. eta vs tors. theta energy: -52.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -673.661013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.661013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.661013 (E_RNA)
where:
Base-Base interactions energy: -374.050
where: short stacking energy: -218.359
Base-Backbone interact. energy: -1.583
local terms energy: -298.027848
where:
bonds (distance) C4'-P energy: -75.712
bonds (distance) P-C4' energy: -106.411
flat angles C4'-P-C4' energy: -79.184
flat angles P-C4'-P energy: -34.467
tors. eta vs tors. theta energy: -2.254
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: 329
Temperature: 1.350000
Total energy: -502.056673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.056673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.056673 (E_RNA)
where:
Base-Base interactions energy: -222.031
where: short stacking energy: -134.150
Base-Backbone interact. energy: 1.257
local terms energy: -281.282243
where:
bonds (distance) C4'-P energy: -105.214
bonds (distance) P-C4' energy: -89.530
flat angles C4'-P-C4' energy: -69.877
flat angles P-C4'-P energy: -38.086
tors. eta vs tors. theta energy: 21.425
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: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1857.564484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.564484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.564484 (E_RNA)
where:
Base-Base interactions energy: -1289.574
where: short stacking energy: -524.304
Base-Backbone interact. energy: 2.153
local terms energy: -570.142790
where:
bonds (distance) C4'-P energy: -106.858
bonds (distance) P-C4' energy: -108.059
flat angles C4'-P-C4' energy: -122.084
flat angles P-C4'-P energy: -82.079
tors. eta vs tors. theta energy: -151.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1799.336599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.336599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.336599 (E_RNA)
where:
Base-Base interactions energy: -1250.962
where: short stacking energy: -518.720
Base-Backbone interact. energy: -2.543
local terms energy: -545.831762
where:
bonds (distance) C4'-P energy: -95.954
bonds (distance) P-C4' energy: -103.689
flat angles C4'-P-C4' energy: -122.054
flat angles P-C4'-P energy: -76.872
tors. eta vs tors. theta energy: -147.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1708.716433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.716433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.716433 (E_RNA)
where:
Base-Base interactions energy: -1165.965
where: short stacking energy: -503.797
Base-Backbone interact. energy: -1.896
local terms energy: -540.855178
where:
bonds (distance) C4'-P energy: -105.311
bonds (distance) P-C4' energy: -105.503
flat angles C4'-P-C4' energy: -117.470
flat angles P-C4'-P energy: -58.199
tors. eta vs tors. theta energy: -154.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1577.224739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.224739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.224739 (E_RNA)
where:
Base-Base interactions energy: -1085.538
where: short stacking energy: -481.723
Base-Backbone interact. energy: -2.154
local terms energy: -489.533042
where:
bonds (distance) C4'-P energy: -99.997
bonds (distance) P-C4' energy: -84.159
flat angles C4'-P-C4' energy: -112.191
flat angles P-C4'-P energy: -67.743
tors. eta vs tors. theta energy: -125.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1535.943066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.943066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.943066 (E_RNA)
where:
Base-Base interactions energy: -1054.949
where: short stacking energy: -453.732
Base-Backbone interact. energy: -1.982
local terms energy: -479.012167
where:
bonds (distance) C4'-P energy: -89.851
bonds (distance) P-C4' energy: -87.164
flat angles C4'-P-C4' energy: -112.971
flat angles P-C4'-P energy: -65.268
tors. eta vs tors. theta energy: -123.758
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: 9
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1369.862672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.862672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.862672 (E_RNA)
where:
Base-Base interactions energy: -902.052
where: short stacking energy: -386.512
Base-Backbone interact. energy: -1.647
local terms energy: -466.163131
where:
bonds (distance) C4'-P energy: -99.545
bonds (distance) P-C4' energy: -90.355
flat angles C4'-P-C4' energy: -96.800
flat angles P-C4'-P energy: -66.532
tors. eta vs tors. theta energy: -112.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1322.172486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.172486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.172486 (E_RNA)
where:
Base-Base interactions energy: -897.152
where: short stacking energy: -381.413
Base-Backbone interact. energy: -1.473
local terms energy: -423.547603
where:
bonds (distance) C4'-P energy: -87.970
bonds (distance) P-C4' energy: -88.217
flat angles C4'-P-C4' energy: -108.333
flat angles P-C4'-P energy: -46.930
tors. eta vs tors. theta energy: -92.097
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: 3
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1019.553922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.553922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.553922 (E_RNA)
where:
Base-Base interactions energy: -647.929
where: short stacking energy: -299.819
Base-Backbone interact. energy: -1.940
local terms energy: -369.684555
where:
bonds (distance) C4'-P energy: -85.646
bonds (distance) P-C4' energy: -90.702
flat angles C4'-P-C4' energy: -86.966
flat angles P-C4'-P energy: -49.689
tors. eta vs tors. theta energy: -56.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -668.962642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.962642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.962642 (E_RNA)
where:
Base-Base interactions energy: -337.418
where: short stacking energy: -164.736
Base-Backbone interact. energy: 0.975
local terms energy: -332.519747
where:
bonds (distance) C4'-P energy: -80.386
bonds (distance) P-C4' energy: -107.377
flat angles C4'-P-C4' energy: -81.329
flat angles P-C4'-P energy: -52.189
tors. eta vs tors. theta energy: -11.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -505.531532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.531532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.531532 (E_RNA)
where:
Base-Base interactions energy: -244.570
where: short stacking energy: -140.929
Base-Backbone interact. energy: -1.751
local terms energy: -259.210015
where:
bonds (distance) C4'-P energy: -80.236
bonds (distance) P-C4' energy: -74.448
flat angles C4'-P-C4' energy: -78.574
flat angles P-C4'-P energy: -33.152
tors. eta vs tors. theta energy: 7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1847.678552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.678552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.678552 (E_RNA)
where:
Base-Base interactions energy: -1278.735
where: short stacking energy: -529.233
Base-Backbone interact. energy: 2.992
local terms energy: -571.935904
where:
bonds (distance) C4'-P energy: -115.028
bonds (distance) P-C4' energy: -109.875
flat angles C4'-P-C4' energy: -126.797
flat angles P-C4'-P energy: -77.087
tors. eta vs tors. theta energy: -143.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1786.653508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.653508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.653508 (E_RNA)
where:
Base-Base interactions energy: -1252.945
where: short stacking energy: -520.526
Base-Backbone interact. energy: 2.635
local terms energy: -536.344107
where:
bonds (distance) C4'-P energy: -109.113
bonds (distance) P-C4' energy: -107.863
flat angles C4'-P-C4' energy: -110.219
flat angles P-C4'-P energy: -63.636
tors. eta vs tors. theta energy: -145.512
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: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1704.208731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.208731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.208731 (E_RNA)
where:
Base-Base interactions energy: -1158.536
where: short stacking energy: -505.594
Base-Backbone interact. energy: -1.310
local terms energy: -544.361990
where:
bonds (distance) C4'-P energy: -104.733
bonds (distance) P-C4' energy: -118.083
flat angles C4'-P-C4' energy: -113.598
flat angles P-C4'-P energy: -67.964
tors. eta vs tors. theta energy: -139.983
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: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1633.163501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.163501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.163501 (E_RNA)
where:
Base-Base interactions energy: -1134.012
where: short stacking energy: -488.980
Base-Backbone interact. energy: -1.581
local terms energy: -497.569996
where:
bonds (distance) C4'-P energy: -102.054
bonds (distance) P-C4' energy: -84.895
flat angles C4'-P-C4' energy: -104.722
flat angles P-C4'-P energy: -73.266
tors. eta vs tors. theta energy: -132.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1473.979346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.979346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.979346 (E_RNA)
where:
Base-Base interactions energy: -995.861
where: short stacking energy: -433.261
Base-Backbone interact. energy: -2.268
local terms energy: -475.850368
where:
bonds (distance) C4'-P energy: -100.281
bonds (distance) P-C4' energy: -88.232
flat angles C4'-P-C4' energy: -111.950
flat angles P-C4'-P energy: -73.286
tors. eta vs tors. theta energy: -102.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1404.749168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.749168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.749168 (E_RNA)
where:
Base-Base interactions energy: -952.269
where: short stacking energy: -416.597
Base-Backbone interact. energy: -1.237
local terms energy: -451.242923
where:
bonds (distance) C4'-P energy: -89.562
bonds (distance) P-C4' energy: -90.434
flat angles C4'-P-C4' energy: -100.687
flat angles P-C4'-P energy: -60.941
tors. eta vs tors. theta energy: -109.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1283.300900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.300900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.300900 (E_RNA)
where:
Base-Base interactions energy: -864.020
where: short stacking energy: -360.983
Base-Backbone interact. energy: -2.880
local terms energy: -416.400682
where:
bonds (distance) C4'-P energy: -80.880
bonds (distance) P-C4' energy: -85.270
flat angles C4'-P-C4' energy: -94.547
flat angles P-C4'-P energy: -74.496
tors. eta vs tors. theta energy: -81.207
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: 3
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1036.780867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.780867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.780867 (E_RNA)
where:
Base-Base interactions energy: -658.169
where: short stacking energy: -304.203
Base-Backbone interact. energy: 0.950
local terms energy: -379.562100
where:
bonds (distance) C4'-P energy: -64.734
bonds (distance) P-C4' energy: -78.675
flat angles C4'-P-C4' energy: -96.570
flat angles P-C4'-P energy: -61.763
tors. eta vs tors. theta energy: -77.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -673.572795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.572795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.572795 (E_RNA)
where:
Base-Base interactions energy: -346.952
where: short stacking energy: -165.844
Base-Backbone interact. energy: -0.005
local terms energy: -326.616271
where:
bonds (distance) C4'-P energy: -90.184
bonds (distance) P-C4' energy: -99.863
flat angles C4'-P-C4' energy: -85.106
flat angles P-C4'-P energy: -53.455
tors. eta vs tors. theta energy: 1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -515.084633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.084633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.084633 (E_RNA)
where:
Base-Base interactions energy: -238.390
where: short stacking energy: -147.037
Base-Backbone interact. energy: 0.636
local terms energy: -277.329933
where:
bonds (distance) C4'-P energy: -68.537
bonds (distance) P-C4' energy: -90.530
flat angles C4'-P-C4' energy: -77.533
flat angles P-C4'-P energy: -42.704
tors. eta vs tors. theta energy: 1.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1848.329101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.329101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.329101 (E_RNA)
where:
Base-Base interactions energy: -1296.955
where: short stacking energy: -545.099
Base-Backbone interact. energy: -4.461
local terms energy: -546.913155
where:
bonds (distance) C4'-P energy: -100.503
bonds (distance) P-C4' energy: -101.499
flat angles C4'-P-C4' energy: -122.897
flat angles P-C4'-P energy: -86.024
tors. eta vs tors. theta energy: -135.991
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: 1
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1762.882637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.882637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.882637 (E_RNA)
where:
Base-Base interactions energy: -1230.212
where: short stacking energy: -501.523
Base-Backbone interact. energy: -1.887
local terms energy: -530.783608
where:
bonds (distance) C4'-P energy: -104.282
bonds (distance) P-C4' energy: -91.861
flat angles C4'-P-C4' energy: -116.027
flat angles P-C4'-P energy: -73.050
tors. eta vs tors. theta energy: -145.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1691.762892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.762892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.762892 (E_RNA)
where:
Base-Base interactions energy: -1147.213
where: short stacking energy: -524.928
Base-Backbone interact. energy: -1.048
local terms energy: -543.501443
where:
bonds (distance) C4'-P energy: -102.510
bonds (distance) P-C4' energy: -99.087
flat angles C4'-P-C4' energy: -112.014
flat angles P-C4'-P energy: -77.708
tors. eta vs tors. theta energy: -152.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1615.400093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.400093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.400093 (E_RNA)
where:
Base-Base interactions energy: -1109.746
where: short stacking energy: -482.899
Base-Backbone interact. energy: -0.645
local terms energy: -505.009761
where:
bonds (distance) C4'-P energy: -90.397
bonds (distance) P-C4' energy: -106.411
flat angles C4'-P-C4' energy: -105.422
flat angles P-C4'-P energy: -68.362
tors. eta vs tors. theta energy: -134.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1435.108899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.108899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.108899 (E_RNA)
where:
Base-Base interactions energy: -943.074
where: short stacking energy: -415.632
Base-Backbone interact. energy: -1.977
local terms energy: -490.057777
where:
bonds (distance) C4'-P energy: -92.029
bonds (distance) P-C4' energy: -119.282
flat angles C4'-P-C4' energy: -108.431
flat angles P-C4'-P energy: -72.654
tors. eta vs tors. theta energy: -97.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1432.592275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.592275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.592275 (E_RNA)
where:
Base-Base interactions energy: -955.461
where: short stacking energy: -396.965
Base-Backbone interact. energy: -1.224
local terms energy: -475.907003
where:
bonds (distance) C4'-P energy: -91.224
bonds (distance) P-C4' energy: -103.262
flat angles C4'-P-C4' energy: -100.811
flat angles P-C4'-P energy: -69.048
tors. eta vs tors. theta energy: -111.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1328.803472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.803472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.803472 (E_RNA)
where:
Base-Base interactions energy: -881.699
where: short stacking energy: -370.046
Base-Backbone interact. energy: -2.200
local terms energy: -444.903839
where:
bonds (distance) C4'-P energy: -98.103
bonds (distance) P-C4' energy: -103.642
flat angles C4'-P-C4' energy: -100.871
flat angles P-C4'-P energy: -62.803
tors. eta vs tors. theta energy: -79.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1036.871755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.871755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.871755 (E_RNA)
where:
Base-Base interactions energy: -671.282
where: short stacking energy: -287.985
Base-Backbone interact. energy: -4.400
local terms energy: -361.190302
where:
bonds (distance) C4'-P energy: -92.399
bonds (distance) P-C4' energy: -85.542
flat angles C4'-P-C4' energy: -93.041
flat angles P-C4'-P energy: -49.131
tors. eta vs tors. theta energy: -41.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -713.004089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.004089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.004089 (E_RNA)
where:
Base-Base interactions energy: -384.973
where: short stacking energy: -188.118
Base-Backbone interact. energy: -2.333
local terms energy: -325.697939
where:
bonds (distance) C4'-P energy: -80.663
bonds (distance) P-C4' energy: -110.063
flat angles C4'-P-C4' energy: -71.490
flat angles P-C4'-P energy: -52.389
tors. eta vs tors. theta energy: -11.093
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: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -478.392190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.392190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.392190 (E_RNA)
where:
Base-Base interactions energy: -180.473
where: short stacking energy: -120.180
Base-Backbone interact. energy: -1.637
local terms energy: -296.282692
where:
bonds (distance) C4'-P energy: -90.128
bonds (distance) P-C4' energy: -103.789
flat angles C4'-P-C4' energy: -86.131
flat angles P-C4'-P energy: -26.341
tors. eta vs tors. theta energy: 10.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1843.861314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.861314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.861314 (E_RNA)
where:
Base-Base interactions energy: -1282.774
where: short stacking energy: -521.560
Base-Backbone interact. energy: -3.280
local terms energy: -557.807208
where:
bonds (distance) C4'-P energy: -105.183
bonds (distance) P-C4' energy: -118.162
flat angles C4'-P-C4' energy: -119.040
flat angles P-C4'-P energy: -64.648
tors. eta vs tors. theta energy: -150.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1786.721806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.721806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.721806 (E_RNA)
where:
Base-Base interactions energy: -1230.532
where: short stacking energy: -507.943
Base-Backbone interact. energy: -1.680
local terms energy: -554.508920
where:
bonds (distance) C4'-P energy: -99.017
bonds (distance) P-C4' energy: -105.402
flat angles C4'-P-C4' energy: -112.423
flat angles P-C4'-P energy: -89.176
tors. eta vs tors. theta energy: -148.491
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: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1686.686709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.686709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.686709 (E_RNA)
where:
Base-Base interactions energy: -1146.141
where: short stacking energy: -504.848
Base-Backbone interact. energy: 3.023
local terms energy: -543.569082
where:
bonds (distance) C4'-P energy: -91.632
bonds (distance) P-C4' energy: -105.063
flat angles C4'-P-C4' energy: -116.340
flat angles P-C4'-P energy: -82.779
tors. eta vs tors. theta energy: -147.754
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: 5
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1566.173899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.173899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.173899 (E_RNA)
where:
Base-Base interactions energy: -1054.783
where: short stacking energy: -455.556
Base-Backbone interact. energy: -0.259
local terms energy: -511.132330
where:
bonds (distance) C4'-P energy: -101.819
bonds (distance) P-C4' energy: -93.575
flat angles C4'-P-C4' energy: -114.417
flat angles P-C4'-P energy: -71.768
tors. eta vs tors. theta energy: -129.554
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: 9
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1452.401402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.401402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.401402 (E_RNA)
where:
Base-Base interactions energy: -973.262
where: short stacking energy: -423.216
Base-Backbone interact. energy: -2.087
local terms energy: -477.052673
where:
bonds (distance) C4'-P energy: -89.915
bonds (distance) P-C4' energy: -96.788
flat angles C4'-P-C4' energy: -106.682
flat angles P-C4'-P energy: -72.660
tors. eta vs tors. theta energy: -111.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1433.989036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.989036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.989036 (E_RNA)
where:
Base-Base interactions energy: -973.095
where: short stacking energy: -410.371
Base-Backbone interact. energy: -2.499
local terms energy: -458.394517
where:
bonds (distance) C4'-P energy: -93.467
bonds (distance) P-C4' energy: -88.509
flat angles C4'-P-C4' energy: -112.882
flat angles P-C4'-P energy: -54.487
tors. eta vs tors. theta energy: -109.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1320.662863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.662863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.662863 (E_RNA)
where:
Base-Base interactions energy: -879.373
where: short stacking energy: -378.161
Base-Backbone interact. energy: -2.015
local terms energy: -439.274796
where:
bonds (distance) C4'-P energy: -92.228
bonds (distance) P-C4' energy: -96.668
flat angles C4'-P-C4' energy: -91.796
flat angles P-C4'-P energy: -66.566
tors. eta vs tors. theta energy: -92.016
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: 8, replica: 3
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1047.204524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.204524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.204524 (E_RNA)
where:
Base-Base interactions energy: -666.792
where: short stacking energy: -311.231
Base-Backbone interact. energy: 0.974
local terms energy: -381.387095
where:
bonds (distance) C4'-P energy: -82.377
bonds (distance) P-C4' energy: -88.013
flat angles C4'-P-C4' energy: -96.170
flat angles P-C4'-P energy: -58.871
tors. eta vs tors. theta energy: -55.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -768.952078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.952078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.952078 (E_RNA)
where:
Base-Base interactions energy: -459.550
where: short stacking energy: -216.067
Base-Backbone interact. energy: 3.266
local terms energy: -312.667881
where:
bonds (distance) C4'-P energy: -73.958
bonds (distance) P-C4' energy: -91.963
flat angles C4'-P-C4' energy: -79.820
flat angles P-C4'-P energy: -48.616
tors. eta vs tors. theta energy: -18.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -508.316794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.316794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.316794 (E_RNA)
where:
Base-Base interactions energy: -222.573
where: short stacking energy: -158.278
Base-Backbone interact. energy: 7.547
local terms energy: -293.290519
where:
bonds (distance) C4'-P energy: -65.771
bonds (distance) P-C4' energy: -92.260
flat angles C4'-P-C4' energy: -81.883
flat angles P-C4'-P energy: -50.741
tors. eta vs tors. theta energy: -2.636
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: 7
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1875.968012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.968012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.968012 (E_RNA)
where:
Base-Base interactions energy: -1311.445
where: short stacking energy: -521.898
Base-Backbone interact. energy: -0.068
local terms energy: -564.454349
where:
bonds (distance) C4'-P energy: -105.489
bonds (distance) P-C4' energy: -116.048
flat angles C4'-P-C4' energy: -119.423
flat angles P-C4'-P energy: -81.070
tors. eta vs tors. theta energy: -142.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1765.005592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.005592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.005592 (E_RNA)
where:
Base-Base interactions energy: -1198.783
where: short stacking energy: -498.350
Base-Backbone interact. energy: -1.253
local terms energy: -564.969490
where:
bonds (distance) C4'-P energy: -106.510
bonds (distance) P-C4' energy: -107.618
flat angles C4'-P-C4' energy: -114.368
flat angles P-C4'-P energy: -92.493
tors. eta vs tors. theta energy: -143.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1741.336384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.336384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.336384 (E_RNA)
where:
Base-Base interactions energy: -1173.651
where: short stacking energy: -518.222
Base-Backbone interact. energy: -0.213
local terms energy: -567.472103
where:
bonds (distance) C4'-P energy: -98.418
bonds (distance) P-C4' energy: -107.786
flat angles C4'-P-C4' energy: -128.634
flat angles P-C4'-P energy: -78.498
tors. eta vs tors. theta energy: -154.136
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: 5
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1584.313768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.313768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.313768 (E_RNA)
where:
Base-Base interactions energy: -1066.863
where: short stacking energy: -491.951
Base-Backbone interact. energy: -1.044
local terms energy: -516.406171
where:
bonds (distance) C4'-P energy: -91.435
bonds (distance) P-C4' energy: -99.592
flat angles C4'-P-C4' energy: -113.921
flat angles P-C4'-P energy: -83.372
tors. eta vs tors. theta energy: -128.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1480.582192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.582192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.582192 (E_RNA)
where:
Base-Base interactions energy: -992.437
where: short stacking energy: -417.118
Base-Backbone interact. energy: -1.216
local terms energy: -486.929261
where:
bonds (distance) C4'-P energy: -101.139
bonds (distance) P-C4' energy: -91.308
flat angles C4'-P-C4' energy: -109.336
flat angles P-C4'-P energy: -66.596
tors. eta vs tors. theta energy: -118.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1369.612485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.612485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.612485 (E_RNA)
where:
Base-Base interactions energy: -917.686
where: short stacking energy: -387.838
Base-Backbone interact. energy: -1.276
local terms energy: -450.649849
where:
bonds (distance) C4'-P energy: -86.271
bonds (distance) P-C4' energy: -92.963
flat angles C4'-P-C4' energy: -104.067
flat angles P-C4'-P energy: -73.641
tors. eta vs tors. theta energy: -93.708
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: 4
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1321.030235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.030235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.030235 (E_RNA)
where:
Base-Base interactions energy: -878.793
where: short stacking energy: -390.091
Base-Backbone interact. energy: -0.453
local terms energy: -441.784489
where:
bonds (distance) C4'-P energy: -92.210
bonds (distance) P-C4' energy: -91.811
flat angles C4'-P-C4' energy: -96.009
flat angles P-C4'-P energy: -55.736
tors. eta vs tors. theta energy: -106.019
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: 3
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -992.835252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.835252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.835252 (E_RNA)
where:
Base-Base interactions energy: -646.316
where: short stacking energy: -278.526
Base-Backbone interact. energy: -3.452
local terms energy: -343.066678
where:
bonds (distance) C4'-P energy: -81.043
bonds (distance) P-C4' energy: -87.200
flat angles C4'-P-C4' energy: -88.089
flat angles P-C4'-P energy: -52.979
tors. eta vs tors. theta energy: -33.756
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: 9, replica: 8
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -805.451063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.451063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.451063 (E_RNA)
where:
Base-Base interactions energy: -459.743
where: short stacking energy: -203.119
Base-Backbone interact. energy: 0.411
local terms energy: -346.118947
where:
bonds (distance) C4'-P energy: -99.656
bonds (distance) P-C4' energy: -90.459
flat angles C4'-P-C4' energy: -92.498
flat angles P-C4'-P energy: -56.219
tors. eta vs tors. theta energy: -7.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -447.577216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.577216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.577216 (E_RNA)
where:
Base-Base interactions energy: -196.251
where: short stacking energy: -146.679
Base-Backbone interact. energy: -2.528
local terms energy: -248.798788
where:
bonds (distance) C4'-P energy: -63.038
bonds (distance) P-C4' energy: -101.471
flat angles C4'-P-C4' energy: -62.726
flat angles P-C4'-P energy: -44.115
tors. eta vs tors. theta energy: 22.550
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: 7
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1898.792174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.792174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.792174 (E_RNA)
where:
Base-Base interactions energy: -1343.213
where: short stacking energy: -537.649
Base-Backbone interact. energy: -2.092
local terms energy: -553.487620
where:
bonds (distance) C4'-P energy: -97.021
bonds (distance) P-C4' energy: -96.977
flat angles C4'-P-C4' energy: -118.693
flat angles P-C4'-P energy: -79.275
tors. eta vs tors. theta energy: -161.521
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: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1726.484998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.484998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.484998 (E_RNA)
where:
Base-Base interactions energy: -1191.554
where: short stacking energy: -491.747
Base-Backbone interact. energy: -0.460
local terms energy: -534.470304
where:
bonds (distance) C4'-P energy: -89.734
bonds (distance) P-C4' energy: -108.957
flat angles C4'-P-C4' energy: -121.348
flat angles P-C4'-P energy: -79.279
tors. eta vs tors. theta energy: -135.153
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: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1713.370212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.370212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.370212 (E_RNA)
where:
Base-Base interactions energy: -1161.613
where: short stacking energy: -533.731
Base-Backbone interact. energy: -2.870
local terms energy: -548.887167
where:
bonds (distance) C4'-P energy: -91.719
bonds (distance) P-C4' energy: -110.700
flat angles C4'-P-C4' energy: -110.428
flat angles P-C4'-P energy: -79.176
tors. eta vs tors. theta energy: -156.863
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: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1566.277677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.277677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.277677 (E_RNA)
where:
Base-Base interactions energy: -1037.283
where: short stacking energy: -477.651
Base-Backbone interact. energy: -0.076
local terms energy: -528.919204
where:
bonds (distance) C4'-P energy: -93.111
bonds (distance) P-C4' energy: -101.761
flat angles C4'-P-C4' energy: -119.415
flat angles P-C4'-P energy: -75.256
tors. eta vs tors. theta energy: -139.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1519.766538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.766538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.766538 (E_RNA)
where:
Base-Base interactions energy: -1033.370
where: short stacking energy: -450.602
Base-Backbone interact. energy: -0.683
local terms energy: -485.713647
where:
bonds (distance) C4'-P energy: -99.917
bonds (distance) P-C4' energy: -89.163
flat angles C4'-P-C4' energy: -108.806
flat angles P-C4'-P energy: -67.900
tors. eta vs tors. theta energy: -119.927
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: 9
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1355.532952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.532952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.532952 (E_RNA)
where:
Base-Base interactions energy: -894.622
where: short stacking energy: -381.004
Base-Backbone interact. energy: -0.335
local terms energy: -460.576670
where:
bonds (distance) C4'-P energy: -96.721
bonds (distance) P-C4' energy: -105.368
flat angles C4'-P-C4' energy: -100.763
flat angles P-C4'-P energy: -65.337
tors. eta vs tors. theta energy: -92.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1304.593110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.593110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.593110 (E_RNA)
where:
Base-Base interactions energy: -863.178
where: short stacking energy: -371.068
Base-Backbone interact. energy: -0.779
local terms energy: -440.635437
where:
bonds (distance) C4'-P energy: -99.795
bonds (distance) P-C4' energy: -93.053
flat angles C4'-P-C4' energy: -107.474
flat angles P-C4'-P energy: -63.985
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: 8, replica: 3
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1003.154486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.154486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.154486 (E_RNA)
where:
Base-Base interactions energy: -627.823
where: short stacking energy: -265.987
Base-Backbone interact. energy: -0.690
local terms energy: -374.640955
where:
bonds (distance) C4'-P energy: -94.221
bonds (distance) P-C4' energy: -106.520
flat angles C4'-P-C4' energy: -99.295
flat angles P-C4'-P energy: -44.534
tors. eta vs tors. theta energy: -30.070
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: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -757.626640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.626640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.626640 (E_RNA)
where:
Base-Base interactions energy: -446.346
where: short stacking energy: -248.980
Base-Backbone interact. energy: -1.181
local terms energy: -310.100018
where:
bonds (distance) C4'-P energy: -93.347
bonds (distance) P-C4' energy: -83.099
flat angles C4'-P-C4' energy: -69.818
flat angles P-C4'-P energy: -40.866
tors. eta vs tors. theta energy: -22.970
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: 335
Temperature: 1.350000
Total energy: -465.546438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.546438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.546438 (E_RNA)
where:
Base-Base interactions energy: -181.092
where: short stacking energy: -166.530
Base-Backbone interact. energy: 1.658
local terms energy: -286.111892
where:
bonds (distance) C4'-P energy: -73.811
bonds (distance) P-C4' energy: -90.751
flat angles C4'-P-C4' energy: -67.160
flat angles P-C4'-P energy: -53.017
tors. eta vs tors. theta energy: -1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1904.201691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.201691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.201691 (E_RNA)
where:
Base-Base interactions energy: -1337.886
where: short stacking energy: -567.846
Base-Backbone interact. energy: -2.249
local terms energy: -564.066898
where:
bonds (distance) C4'-P energy: -104.892
bonds (distance) P-C4' energy: -111.163
flat angles C4'-P-C4' energy: -123.406
flat angles P-C4'-P energy: -70.127
tors. eta vs tors. theta energy: -154.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1750.142349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.142349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.142349 (E_RNA)
where:
Base-Base interactions energy: -1202.663
where: short stacking energy: -520.009
Base-Backbone interact. energy: -4.531
local terms energy: -542.948108
where:
bonds (distance) C4'-P energy: -98.810
bonds (distance) P-C4' energy: -108.715
flat angles C4'-P-C4' energy: -111.545
flat angles P-C4'-P energy: -75.066
tors. eta vs tors. theta energy: -148.811
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: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1738.560575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.560575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.560575 (E_RNA)
where:
Base-Base interactions energy: -1176.947
where: short stacking energy: -538.844
Base-Backbone interact. energy: -0.649
local terms energy: -560.965250
where:
bonds (distance) C4'-P energy: -99.291
bonds (distance) P-C4' energy: -92.004
flat angles C4'-P-C4' energy: -126.947
flat angles P-C4'-P energy: -85.308
tors. eta vs tors. theta energy: -157.416
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: 5
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1551.370651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.370651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.370651 (E_RNA)
where:
Base-Base interactions energy: -1049.643
where: short stacking energy: -470.146
Base-Backbone interact. energy: -1.365
local terms energy: -500.362339
where:
bonds (distance) C4'-P energy: -90.038
bonds (distance) P-C4' energy: -105.346
flat angles C4'-P-C4' energy: -108.101
flat angles P-C4'-P energy: -70.308
tors. eta vs tors. theta energy: -126.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1494.727406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.727406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.727406 (E_RNA)
where:
Base-Base interactions energy: -1022.631
where: short stacking energy: -442.444
Base-Backbone interact. energy: 3.329
local terms energy: -475.425902
where:
bonds (distance) C4'-P energy: -80.312
bonds (distance) P-C4' energy: -99.044
flat angles C4'-P-C4' energy: -110.176
flat angles P-C4'-P energy: -58.300
tors. eta vs tors. theta energy: -127.593
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: 9
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1371.157129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.157129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.157129 (E_RNA)
where:
Base-Base interactions energy: -896.284
where: short stacking energy: -389.523
Base-Backbone interact. energy: -0.408
local terms energy: -474.465816
where:
bonds (distance) C4'-P energy: -97.633
bonds (distance) P-C4' energy: -95.323
flat angles C4'-P-C4' energy: -108.979
flat angles P-C4'-P energy: -74.141
tors. eta vs tors. theta energy: -98.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1312.427321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.427321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.427321 (E_RNA)
where:
Base-Base interactions energy: -864.118
where: short stacking energy: -352.214
Base-Backbone interact. energy: -1.543
local terms energy: -446.766199
where:
bonds (distance) C4'-P energy: -91.603
bonds (distance) P-C4' energy: -96.052
flat angles C4'-P-C4' energy: -94.514
flat angles P-C4'-P energy: -71.298
tors. eta vs tors. theta energy: -93.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1006.627988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.627988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.627988 (E_RNA)
where:
Base-Base interactions energy: -628.172
where: short stacking energy: -299.812
Base-Backbone interact. energy: -2.687
local terms energy: -375.769111
where:
bonds (distance) C4'-P energy: -93.080
bonds (distance) P-C4' energy: -95.532
flat angles C4'-P-C4' energy: -90.779
flat angles P-C4'-P energy: -49.615
tors. eta vs tors. theta energy: -46.763
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: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -806.623146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.623146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.623146 (E_RNA)
where:
Base-Base interactions energy: -443.757
where: short stacking energy: -228.962
Base-Backbone interact. energy: -0.928
local terms energy: -361.938160
where:
bonds (distance) C4'-P energy: -102.014
bonds (distance) P-C4' energy: -97.697
flat angles C4'-P-C4' energy: -70.907
flat angles P-C4'-P energy: -67.570
tors. eta vs tors. theta energy: -23.751
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: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -444.572704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.572704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.572704 (E_RNA)
where:
Base-Base interactions energy: -166.837
where: short stacking energy: -128.463
Base-Backbone interact. energy: -0.594
local terms energy: -277.141580
where:
bonds (distance) C4'-P energy: -90.750
bonds (distance) P-C4' energy: -97.239
flat angles C4'-P-C4' energy: -67.635
flat angles P-C4'-P energy: -49.088
tors. eta vs tors. theta energy: 27.570
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: 1, replica: 7
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1901.568056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.568056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.568056 (E_RNA)
where:
Base-Base interactions energy: -1315.907
where: short stacking energy: -523.738
Base-Backbone interact. energy: -5.186
local terms energy: -580.474342
where:
bonds (distance) C4'-P energy: -99.841
bonds (distance) P-C4' energy: -112.751
flat angles C4'-P-C4' energy: -126.021
flat angles P-C4'-P energy: -90.240
tors. eta vs tors. theta energy: -151.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1783.703481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.703481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.703481 (E_RNA)
where:
Base-Base interactions energy: -1242.936
where: short stacking energy: -531.700
Base-Backbone interact. energy: -3.281
local terms energy: -537.486966
where:
bonds (distance) C4'-P energy: -107.426
bonds (distance) P-C4' energy: -91.507
flat angles C4'-P-C4' energy: -109.933
flat angles P-C4'-P energy: -81.283
tors. eta vs tors. theta energy: -147.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1734.659009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.659009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.659009 (E_RNA)
where:
Base-Base interactions energy: -1194.568
where: short stacking energy: -537.679
Base-Backbone interact. energy: -0.224
local terms energy: -539.866771
where:
bonds (distance) C4'-P energy: -97.230
bonds (distance) P-C4' energy: -96.242
flat angles C4'-P-C4' energy: -108.701
flat angles P-C4'-P energy: -78.620
tors. eta vs tors. theta energy: -159.073
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: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1571.230357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.230357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.230357 (E_RNA)
where:
Base-Base interactions energy: -1037.194
where: short stacking energy: -476.219
Base-Backbone interact. energy: 1.102
local terms energy: -535.137879
where:
bonds (distance) C4'-P energy: -103.649
bonds (distance) P-C4' energy: -106.329
flat angles C4'-P-C4' energy: -113.133
flat angles P-C4'-P energy: -65.033
tors. eta vs tors. theta energy: -146.994
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: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1542.186573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.186573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.186573 (E_RNA)
where:
Base-Base interactions energy: -1029.575
where: short stacking energy: -446.549
Base-Backbone interact. energy: -1.136
local terms energy: -511.475233
where:
bonds (distance) C4'-P energy: -101.031
bonds (distance) P-C4' energy: -97.406
flat angles C4'-P-C4' energy: -122.486
flat angles P-C4'-P energy: -73.497
tors. eta vs tors. theta energy: -117.056
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: 9
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1427.721586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.721586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.721586 (E_RNA)
where:
Base-Base interactions energy: -960.814
where: short stacking energy: -433.633
Base-Backbone interact. energy: -0.981
local terms energy: -465.926700
where:
bonds (distance) C4'-P energy: -90.323
bonds (distance) P-C4' energy: -93.410
flat angles C4'-P-C4' energy: -105.248
flat angles P-C4'-P energy: -71.827
tors. eta vs tors. theta energy: -105.119
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: 4
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1256.040762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.040762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.040762 (E_RNA)
where:
Base-Base interactions energy: -829.076
where: short stacking energy: -355.631
Base-Backbone interact. energy: -2.203
local terms energy: -424.762391
where:
bonds (distance) C4'-P energy: -102.128
bonds (distance) P-C4' energy: -82.964
flat angles C4'-P-C4' energy: -101.389
flat angles P-C4'-P energy: -49.334
tors. eta vs tors. theta energy: -88.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1008.932851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.932851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.932851 (E_RNA)
where:
Base-Base interactions energy: -679.324
where: short stacking energy: -285.284
Base-Backbone interact. energy: -0.866
local terms energy: -328.743655
where:
bonds (distance) C4'-P energy: -80.497
bonds (distance) P-C4' energy: -86.533
flat angles C4'-P-C4' energy: -88.966
flat angles P-C4'-P energy: -35.771
tors. eta vs tors. theta energy: -36.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -729.671301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.671301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.671301 (E_RNA)
where:
Base-Base interactions energy: -395.188
where: short stacking energy: -215.140
Base-Backbone interact. energy: -2.413
local terms energy: -332.070157
where:
bonds (distance) C4'-P energy: -76.196
bonds (distance) P-C4' energy: -96.513
flat angles C4'-P-C4' energy: -86.953
flat angles P-C4'-P energy: -60.569
tors. eta vs tors. theta energy: -11.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -443.498104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.498104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.498104 (E_RNA)
where:
Base-Base interactions energy: -163.644
where: short stacking energy: -151.752
Base-Backbone interact. energy: 1.790
local terms energy: -281.644140
where:
bonds (distance) C4'-P energy: -91.071
bonds (distance) P-C4' energy: -84.401
flat angles C4'-P-C4' energy: -67.135
flat angles P-C4'-P energy: -49.149
tors. eta vs tors. theta energy: 10.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1888.856802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.856802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.856802 (E_RNA)
where:
Base-Base interactions energy: -1326.063
where: short stacking energy: -526.517
Base-Backbone interact. energy: -2.008
local terms energy: -560.785050
where:
bonds (distance) C4'-P energy: -109.508
bonds (distance) P-C4' energy: -105.988
flat angles C4'-P-C4' energy: -113.077
flat angles P-C4'-P energy: -73.089
tors. eta vs tors. theta energy: -159.122
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: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1762.751884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.751884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.751884 (E_RNA)
where:
Base-Base interactions energy: -1209.060
where: short stacking energy: -500.652
Base-Backbone interact. energy: -3.828
local terms energy: -549.863983
where:
bonds (distance) C4'-P energy: -104.528
bonds (distance) P-C4' energy: -110.076
flat angles C4'-P-C4' energy: -111.558
flat angles P-C4'-P energy: -79.966
tors. eta vs tors. theta energy: -143.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1717.747467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.747467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.747467 (E_RNA)
where:
Base-Base interactions energy: -1152.698
where: short stacking energy: -526.569
Base-Backbone interact. energy: -0.789
local terms energy: -564.259939
where:
bonds (distance) C4'-P energy: -102.508
bonds (distance) P-C4' energy: -110.454
flat angles C4'-P-C4' energy: -101.869
flat angles P-C4'-P energy: -85.984
tors. eta vs tors. theta energy: -163.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1563.051359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.051359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.051359 (E_RNA)
where:
Base-Base interactions energy: -1040.942
where: short stacking energy: -464.599
Base-Backbone interact. energy: -1.131
local terms energy: -520.978203
where:
bonds (distance) C4'-P energy: -92.765
bonds (distance) P-C4' energy: -112.405
flat angles C4'-P-C4' energy: -102.192
flat angles P-C4'-P energy: -85.135
tors. eta vs tors. theta energy: -128.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1497.398348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.398348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.398348 (E_RNA)
where:
Base-Base interactions energy: -1020.403
where: short stacking energy: -459.750
Base-Backbone interact. energy: 3.159
local terms energy: -480.154485
where:
bonds (distance) C4'-P energy: -81.141
bonds (distance) P-C4' energy: -95.811
flat angles C4'-P-C4' energy: -112.029
flat angles P-C4'-P energy: -65.031
tors. eta vs tors. theta energy: -126.141
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: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1465.194702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.194702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.194702 (E_RNA)
where:
Base-Base interactions energy: -976.178
where: short stacking energy: -412.985
Base-Backbone interact. energy: -4.299
local terms energy: -484.718065
where:
bonds (distance) C4'-P energy: -98.141
bonds (distance) P-C4' energy: -100.893
flat angles C4'-P-C4' energy: -106.515
flat angles P-C4'-P energy: -69.095
tors. eta vs tors. theta energy: -110.074
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: 4
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1260.095043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.095043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.095043 (E_RNA)
where:
Base-Base interactions energy: -835.852
where: short stacking energy: -354.227
Base-Backbone interact. energy: -2.928
local terms energy: -421.314934
where:
bonds (distance) C4'-P energy: -82.035
bonds (distance) P-C4' energy: -98.821
flat angles C4'-P-C4' energy: -93.653
flat angles P-C4'-P energy: -66.200
tors. eta vs tors. theta energy: -80.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -990.891881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.891881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.891881 (E_RNA)
where:
Base-Base interactions energy: -614.503
where: short stacking energy: -273.601
Base-Backbone interact. energy: -2.157
local terms energy: -374.231899
where:
bonds (distance) C4'-P energy: -94.004
bonds (distance) P-C4' energy: -93.394
flat angles C4'-P-C4' energy: -79.714
flat angles P-C4'-P energy: -66.572
tors. eta vs tors. theta energy: -40.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -756.571710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.571710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.571710 (E_RNA)
where:
Base-Base interactions energy: -426.005
where: short stacking energy: -210.115
Base-Backbone interact. energy: 1.831
local terms energy: -332.397126
where:
bonds (distance) C4'-P energy: -80.044
bonds (distance) P-C4' energy: -113.611
flat angles C4'-P-C4' energy: -65.350
flat angles P-C4'-P energy: -49.979
tors. eta vs tors. theta energy: -23.413
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: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -436.542777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.542777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.542777 (E_RNA)
where:
Base-Base interactions energy: -150.534
where: short stacking energy: -128.413
Base-Backbone interact. energy: 0.913
local terms energy: -286.922237
where:
bonds (distance) C4'-P energy: -75.957
bonds (distance) P-C4' energy: -87.036
flat angles C4'-P-C4' energy: -91.565
flat angles P-C4'-P energy: -35.790
tors. eta vs tors. theta energy: 3.425
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: 7
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1866.930529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.930529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.930529 (E_RNA)
where:
Base-Base interactions energy: -1297.032
where: short stacking energy: -528.484
Base-Backbone interact. energy: -1.993
local terms energy: -567.906265
where:
bonds (distance) C4'-P energy: -110.380
bonds (distance) P-C4' energy: -114.581
flat angles C4'-P-C4' energy: -115.455
flat angles P-C4'-P energy: -78.205
tors. eta vs tors. theta energy: -149.285
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: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1757.080626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.080626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.080626 (E_RNA)
where:
Base-Base interactions energy: -1195.173
where: short stacking energy: -490.352
Base-Backbone interact. energy: -3.069
local terms energy: -558.839437
where:
bonds (distance) C4'-P energy: -99.974
bonds (distance) P-C4' energy: -118.905
flat angles C4'-P-C4' energy: -113.147
flat angles P-C4'-P energy: -85.360
tors. eta vs tors. theta energy: -141.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1698.559517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.559517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.559517 (E_RNA)
where:
Base-Base interactions energy: -1141.041
where: short stacking energy: -495.444
Base-Backbone interact. energy: 4.751
local terms energy: -562.269682
where:
bonds (distance) C4'-P energy: -98.729
bonds (distance) P-C4' energy: -107.946
flat angles C4'-P-C4' energy: -122.283
flat angles P-C4'-P energy: -84.959
tors. eta vs tors. theta energy: -148.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1559.674737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.674737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.674737 (E_RNA)
where:
Base-Base interactions energy: -1050.448
where: short stacking energy: -452.436
Base-Backbone interact. energy: -1.393
local terms energy: -507.833389
where:
bonds (distance) C4'-P energy: -109.512
bonds (distance) P-C4' energy: -94.818
flat angles C4'-P-C4' energy: -97.191
flat angles P-C4'-P energy: -78.725
tors. eta vs tors. theta energy: -127.588
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: 339
Temperature: 1.100000
Total energy: -1473.607929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.607929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.607929 (E_RNA)
where:
Base-Base interactions energy: -999.265
where: short stacking energy: -455.120
Base-Backbone interact. energy: -0.608
local terms energy: -473.735460
where:
bonds (distance) C4'-P energy: -96.249
bonds (distance) P-C4' energy: -97.552
flat angles C4'-P-C4' energy: -112.189
flat angles P-C4'-P energy: -60.658
tors. eta vs tors. theta energy: -107.087
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: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1447.267355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.267355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.267355 (E_RNA)
where:
Base-Base interactions energy: -965.881
where: short stacking energy: -415.421
Base-Backbone interact. energy: 1.616
local terms energy: -483.002430
where:
bonds (distance) C4'-P energy: -100.676
bonds (distance) P-C4' energy: -98.048
flat angles C4'-P-C4' energy: -104.961
flat angles P-C4'-P energy: -61.587
tors. eta vs tors. theta energy: -117.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1287.381780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.381780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.381780 (E_RNA)
where:
Base-Base interactions energy: -874.861
where: short stacking energy: -373.760
Base-Backbone interact. energy: -1.701
local terms energy: -410.820043
where:
bonds (distance) C4'-P energy: -80.105
bonds (distance) P-C4' energy: -92.125
flat angles C4'-P-C4' energy: -97.146
flat angles P-C4'-P energy: -58.545
tors. eta vs tors. theta energy: -82.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1002.735630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.735630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.735630 (E_RNA)
where:
Base-Base interactions energy: -656.731
where: short stacking energy: -284.799
Base-Backbone interact. energy: 1.649
local terms energy: -347.653256
where:
bonds (distance) C4'-P energy: -88.108
bonds (distance) P-C4' energy: -71.395
flat angles C4'-P-C4' energy: -81.028
flat angles P-C4'-P energy: -52.952
tors. eta vs tors. theta energy: -54.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -747.104075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.104075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.104075 (E_RNA)
where:
Base-Base interactions energy: -411.521
where: short stacking energy: -211.185
Base-Backbone interact. energy: -3.248
local terms energy: -332.334968
where:
bonds (distance) C4'-P energy: -83.118
bonds (distance) P-C4' energy: -79.945
flat angles C4'-P-C4' energy: -90.453
flat angles P-C4'-P energy: -36.257
tors. eta vs tors. theta energy: -42.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -462.130821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.130821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.130821 (E_RNA)
where:
Base-Base interactions energy: -190.664
where: short stacking energy: -104.800
Base-Backbone interact. energy: 0.986
local terms energy: -272.453035
where:
bonds (distance) C4'-P energy: -89.842
bonds (distance) P-C4' energy: -80.191
flat angles C4'-P-C4' energy: -76.908
flat angles P-C4'-P energy: -49.359
tors. eta vs tors. theta energy: 23.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1873.836881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.836881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.836881 (E_RNA)
where:
Base-Base interactions energy: -1299.979
where: short stacking energy: -524.772
Base-Backbone interact. energy: -1.918
local terms energy: -571.940276
where:
bonds (distance) C4'-P energy: -118.516
bonds (distance) P-C4' energy: -105.269
flat angles C4'-P-C4' energy: -119.651
flat angles P-C4'-P energy: -75.746
tors. eta vs tors. theta energy: -152.758
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: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1791.470287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.470287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.470287 (E_RNA)
where:
Base-Base interactions energy: -1227.770
where: short stacking energy: -516.028
Base-Backbone interact. energy: -2.245
local terms energy: -561.456067
where:
bonds (distance) C4'-P energy: -96.993
bonds (distance) P-C4' energy: -109.320
flat angles C4'-P-C4' energy: -129.209
flat angles P-C4'-P energy: -86.062
tors. eta vs tors. theta energy: -139.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1741.924025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.924025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.924025 (E_RNA)
where:
Base-Base interactions energy: -1179.810
where: short stacking energy: -527.275
Base-Backbone interact. energy: -0.659
local terms energy: -561.455062
where:
bonds (distance) C4'-P energy: -113.982
bonds (distance) P-C4' energy: -98.138
flat angles C4'-P-C4' energy: -118.221
flat angles P-C4'-P energy: -75.584
tors. eta vs tors. theta energy: -155.530
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: 340
Temperature: 1.050000
Total energy: -1536.102149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.102149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.102149 (E_RNA)
where:
Base-Base interactions energy: -1039.061
where: short stacking energy: -456.354
Base-Backbone interact. energy: -1.149
local terms energy: -495.891967
where:
bonds (distance) C4'-P energy: -93.591
bonds (distance) P-C4' energy: -102.101
flat angles C4'-P-C4' energy: -107.104
flat angles P-C4'-P energy: -73.735
tors. eta vs tors. theta energy: -119.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1487.794321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.794321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.794321 (E_RNA)
where:
Base-Base interactions energy: -1006.648
where: short stacking energy: -427.274
Base-Backbone interact. energy: -0.502
local terms energy: -480.644188
where:
bonds (distance) C4'-P energy: -94.899
bonds (distance) P-C4' energy: -96.356
flat angles C4'-P-C4' energy: -108.620
flat angles P-C4'-P energy: -72.334
tors. eta vs tors. theta energy: -108.436
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: 9
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1391.149440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.149440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.149440 (E_RNA)
where:
Base-Base interactions energy: -903.018
where: short stacking energy: -376.621
Base-Backbone interact. energy: -0.450
local terms energy: -487.681592
where:
bonds (distance) C4'-P energy: -106.275
bonds (distance) P-C4' energy: -102.233
flat angles C4'-P-C4' energy: -106.594
flat angles P-C4'-P energy: -76.260
tors. eta vs tors. theta energy: -96.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1304.690346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.690346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.690346 (E_RNA)
where:
Base-Base interactions energy: -858.802
where: short stacking energy: -385.558
Base-Backbone interact. energy: -2.740
local terms energy: -443.148534
where:
bonds (distance) C4'-P energy: -97.930
bonds (distance) P-C4' energy: -99.214
flat angles C4'-P-C4' energy: -89.231
flat angles P-C4'-P energy: -67.843
tors. eta vs tors. theta energy: -88.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1059.024860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.024860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.024860 (E_RNA)
where:
Base-Base interactions energy: -643.505
where: short stacking energy: -298.151
Base-Backbone interact. energy: -1.087
local terms energy: -414.433181
where:
bonds (distance) C4'-P energy: -81.572
bonds (distance) P-C4' energy: -92.981
flat angles C4'-P-C4' energy: -106.668
flat angles P-C4'-P energy: -68.235
tors. eta vs tors. theta energy: -64.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -746.833594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.833594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.833594 (E_RNA)
where:
Base-Base interactions energy: -410.395
where: short stacking energy: -210.039
Base-Backbone interact. energy: -2.035
local terms energy: -334.404333
where:
bonds (distance) C4'-P energy: -86.036
bonds (distance) P-C4' energy: -88.005
flat angles C4'-P-C4' energy: -83.998
flat angles P-C4'-P energy: -50.004
tors. eta vs tors. theta energy: -26.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -464.246119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.246119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.246119 (E_RNA)
where:
Base-Base interactions energy: -181.057
where: short stacking energy: -141.797
Base-Backbone interact. energy: -0.161
local terms energy: -283.027279
where:
bonds (distance) C4'-P energy: -89.615
bonds (distance) P-C4' energy: -90.226
flat angles C4'-P-C4' energy: -83.403
flat angles P-C4'-P energy: -33.076
tors. eta vs tors. theta energy: 13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1879.706780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.706780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.706780 (E_RNA)
where:
Base-Base interactions energy: -1306.710
where: short stacking energy: -563.923
Base-Backbone interact. energy: -1.061
local terms energy: -571.936438
where:
bonds (distance) C4'-P energy: -101.993
bonds (distance) P-C4' energy: -114.947
flat angles C4'-P-C4' energy: -127.914
flat angles P-C4'-P energy: -73.507
tors. eta vs tors. theta energy: -153.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1745.151310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.151310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.151310 (E_RNA)
where:
Base-Base interactions energy: -1192.858
where: short stacking energy: -487.633
Base-Backbone interact. energy: -1.027
local terms energy: -551.266537
where:
bonds (distance) C4'-P energy: -108.547
bonds (distance) P-C4' energy: -111.397
flat angles C4'-P-C4' energy: -109.133
flat angles P-C4'-P energy: -80.016
tors. eta vs tors. theta energy: -142.174
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: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1712.753999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.753999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.753999 (E_RNA)
where:
Base-Base interactions energy: -1149.539
where: short stacking energy: -506.849
Base-Backbone interact. energy: -0.394
local terms energy: -562.821243
where:
bonds (distance) C4'-P energy: -102.208
bonds (distance) P-C4' energy: -103.856
flat angles C4'-P-C4' energy: -119.618
flat angles P-C4'-P energy: -82.170
tors. eta vs tors. theta energy: -154.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1518.476110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.476110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.476110 (E_RNA)
where:
Base-Base interactions energy: -1010.343
where: short stacking energy: -429.096
Base-Backbone interact. energy: 0.456
local terms energy: -508.589539
where:
bonds (distance) C4'-P energy: -102.980
bonds (distance) P-C4' energy: -103.571
flat angles C4'-P-C4' energy: -111.799
flat angles P-C4'-P energy: -81.230
tors. eta vs tors. theta energy: -109.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1498.144456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.144456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.144456 (E_RNA)
where:
Base-Base interactions energy: -1038.057
where: short stacking energy: -436.756
Base-Backbone interact. energy: -3.296
local terms energy: -456.792184
where:
bonds (distance) C4'-P energy: -83.608
bonds (distance) P-C4' energy: -86.105
flat angles C4'-P-C4' energy: -119.619
flat angles P-C4'-P energy: -48.950
tors. eta vs tors. theta energy: -118.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1386.227620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.227620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.227620 (E_RNA)
where:
Base-Base interactions energy: -911.905
where: short stacking energy: -388.172
Base-Backbone interact. energy: 2.351
local terms energy: -476.673502
where:
bonds (distance) C4'-P energy: -84.084
bonds (distance) P-C4' energy: -102.305
flat angles C4'-P-C4' energy: -110.521
flat angles P-C4'-P energy: -78.451
tors. eta vs tors. theta energy: -101.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1277.628497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.628497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.628497 (E_RNA)
where:
Base-Base interactions energy: -866.023
where: short stacking energy: -381.622
Base-Backbone interact. energy: 1.250
local terms energy: -412.855913
where:
bonds (distance) C4'-P energy: -88.911
bonds (distance) P-C4' energy: -96.288
flat angles C4'-P-C4' energy: -80.000
flat angles P-C4'-P energy: -68.766
tors. eta vs tors. theta energy: -78.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1048.545076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.545076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.545076 (E_RNA)
where:
Base-Base interactions energy: -648.405
where: short stacking energy: -303.948
Base-Backbone interact. energy: -2.650
local terms energy: -397.489998
where:
bonds (distance) C4'-P energy: -105.085
bonds (distance) P-C4' energy: -103.811
flat angles C4'-P-C4' energy: -83.950
flat angles P-C4'-P energy: -51.303
tors. eta vs tors. theta energy: -53.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -723.175827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.175827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.175827 (E_RNA)
where:
Base-Base interactions energy: -397.627
where: short stacking energy: -233.932
Base-Backbone interact. energy: 0.068
local terms energy: -325.617535
where:
bonds (distance) C4'-P energy: -85.676
bonds (distance) P-C4' energy: -100.465
flat angles C4'-P-C4' energy: -69.759
flat angles P-C4'-P energy: -37.529
tors. eta vs tors. theta energy: -32.189
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: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -424.071663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.071663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.071663 (E_RNA)
where:
Base-Base interactions energy: -138.535
where: short stacking energy: -130.268
Base-Backbone interact. energy: 0.103
local terms energy: -285.638745
where:
bonds (distance) C4'-P energy: -72.998
bonds (distance) P-C4' energy: -98.976
flat angles C4'-P-C4' energy: -78.055
flat angles P-C4'-P energy: -66.397
tors. eta vs tors. theta energy: 30.786
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: 7
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1887.657156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.657156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.657156 (E_RNA)
where:
Base-Base interactions energy: -1304.353
where: short stacking energy: -532.792
Base-Backbone interact. energy: -3.832
local terms energy: -579.471633
where:
bonds (distance) C4'-P energy: -99.617
bonds (distance) P-C4' energy: -124.047
flat angles C4'-P-C4' energy: -113.078
flat angles P-C4'-P energy: -90.170
tors. eta vs tors. theta energy: -152.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1771.523690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.523690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.523690 (E_RNA)
where:
Base-Base interactions energy: -1229.323
where: short stacking energy: -523.417
Base-Backbone interact. energy: -4.864
local terms energy: -537.336393
where:
bonds (distance) C4'-P energy: -97.031
bonds (distance) P-C4' energy: -115.493
flat angles C4'-P-C4' energy: -106.577
flat angles P-C4'-P energy: -75.036
tors. eta vs tors. theta energy: -143.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1722.751629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.751629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.751629 (E_RNA)
where:
Base-Base interactions energy: -1182.151
where: short stacking energy: -508.979
Base-Backbone interact. energy: -1.724
local terms energy: -538.876855
where:
bonds (distance) C4'-P energy: -99.090
bonds (distance) P-C4' energy: -98.909
flat angles C4'-P-C4' energy: -119.735
flat angles P-C4'-P energy: -77.753
tors. eta vs tors. theta energy: -143.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1549.050074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.050074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.050074 (E_RNA)
where:
Base-Base interactions energy: -1027.600
where: short stacking energy: -459.925
Base-Backbone interact. energy: -0.594
local terms energy: -520.856203
where:
bonds (distance) C4'-P energy: -107.148
bonds (distance) P-C4' energy: -91.325
flat angles C4'-P-C4' energy: -119.215
flat angles P-C4'-P energy: -80.108
tors. eta vs tors. theta energy: -123.060
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: 9
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1462.439255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.439255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.439255 (E_RNA)
where:
Base-Base interactions energy: -1003.779
where: short stacking energy: -431.138
Base-Backbone interact. energy: -0.608
local terms energy: -458.052674
where:
bonds (distance) C4'-P energy: -77.040
bonds (distance) P-C4' energy: -97.844
flat angles C4'-P-C4' energy: -107.221
flat angles P-C4'-P energy: -72.690
tors. eta vs tors. theta energy: -103.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1451.633807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.633807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.633807 (E_RNA)
where:
Base-Base interactions energy: -982.336
where: short stacking energy: -427.124
Base-Backbone interact. energy: -4.118
local terms energy: -465.180024
where:
bonds (distance) C4'-P energy: -91.994
bonds (distance) P-C4' energy: -94.123
flat angles C4'-P-C4' energy: -98.177
flat angles P-C4'-P energy: -62.182
tors. eta vs tors. theta energy: -118.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1324.488897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.488897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.488897 (E_RNA)
where:
Base-Base interactions energy: -850.186
where: short stacking energy: -360.880
Base-Backbone interact. energy: -0.114
local terms energy: -474.189481
where:
bonds (distance) C4'-P energy: -105.712
bonds (distance) P-C4' energy: -81.234
flat angles C4'-P-C4' energy: -107.796
flat angles P-C4'-P energy: -83.104
tors. eta vs tors. theta energy: -96.345
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: 3
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1046.314463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.314463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.314463 (E_RNA)
where:
Base-Base interactions energy: -675.880
where: short stacking energy: -297.231
Base-Backbone interact. energy: -1.478
local terms energy: -368.955970
where:
bonds (distance) C4'-P energy: -75.339
bonds (distance) P-C4' energy: -97.455
flat angles C4'-P-C4' energy: -89.492
flat angles P-C4'-P energy: -48.836
tors. eta vs tors. theta energy: -57.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -726.570033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.570033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.570033 (E_RNA)
where:
Base-Base interactions energy: -371.597
where: short stacking energy: -202.054
Base-Backbone interact. energy: -2.764
local terms energy: -352.209144
where:
bonds (distance) C4'-P energy: -83.611
bonds (distance) P-C4' energy: -101.339
flat angles C4'-P-C4' energy: -96.473
flat angles P-C4'-P energy: -55.378
tors. eta vs tors. theta energy: -15.408
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: 342
Temperature: 1.350000
Total energy: -452.385044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.385044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.385044 (E_RNA)
where:
Base-Base interactions energy: -159.109
where: short stacking energy: -118.149
Base-Backbone interact. energy: 2.197
local terms energy: -295.472545
where:
bonds (distance) C4'-P energy: -91.698
bonds (distance) P-C4' energy: -90.326
flat angles C4'-P-C4' energy: -97.964
flat angles P-C4'-P energy: -43.703
tors. eta vs tors. theta energy: 28.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1878.501820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.501820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.501820 (E_RNA)
where:
Base-Base interactions energy: -1285.630
where: short stacking energy: -541.557
Base-Backbone interact. energy: -4.731
local terms energy: -588.140694
where:
bonds (distance) C4'-P energy: -114.884
bonds (distance) P-C4' energy: -113.114
flat angles C4'-P-C4' energy: -124.184
flat angles P-C4'-P energy: -80.266
tors. eta vs tors. theta energy: -155.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1789.301744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.301744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.301744 (E_RNA)
where:
Base-Base interactions energy: -1201.141
where: short stacking energy: -482.683
Base-Backbone interact. energy: -3.196
local terms energy: -584.964323
where:
bonds (distance) C4'-P energy: -115.017
bonds (distance) P-C4' energy: -119.121
flat angles C4'-P-C4' energy: -123.711
flat angles P-C4'-P energy: -81.603
tors. eta vs tors. theta energy: -145.514
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: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1721.903494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.903494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.903494 (E_RNA)
where:
Base-Base interactions energy: -1170.821
where: short stacking energy: -520.934
Base-Backbone interact. energy: -0.481
local terms energy: -550.601034
where:
bonds (distance) C4'-P energy: -100.247
bonds (distance) P-C4' energy: -96.488
flat angles C4'-P-C4' energy: -121.927
flat angles P-C4'-P energy: -85.379
tors. eta vs tors. theta energy: -146.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1558.866466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.866466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.866466 (E_RNA)
where:
Base-Base interactions energy: -1034.002
where: short stacking energy: -476.682
Base-Backbone interact. energy: -2.257
local terms energy: -522.607975
where:
bonds (distance) C4'-P energy: -94.860
bonds (distance) P-C4' energy: -110.063
flat angles C4'-P-C4' energy: -113.942
flat angles P-C4'-P energy: -75.860
tors. eta vs tors. theta energy: -127.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1479.417092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.417092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.417092 (E_RNA)
where:
Base-Base interactions energy: -1013.979
where: short stacking energy: -435.414
Base-Backbone interact. energy: -1.753
local terms energy: -463.684529
where:
bonds (distance) C4'-P energy: -88.978
bonds (distance) P-C4' energy: -95.251
flat angles C4'-P-C4' energy: -102.427
flat angles P-C4'-P energy: -62.816
tors. eta vs tors. theta energy: -114.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1402.395801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.395801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.395801 (E_RNA)
where:
Base-Base interactions energy: -924.968
where: short stacking energy: -396.324
Base-Backbone interact. energy: -2.333
local terms energy: -475.094612
where:
bonds (distance) C4'-P energy: -102.546
bonds (distance) P-C4' energy: -91.543
flat angles C4'-P-C4' energy: -124.812
flat angles P-C4'-P energy: -63.205
tors. eta vs tors. theta energy: -92.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1337.369724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.369724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.369724 (E_RNA)
where:
Base-Base interactions energy: -893.011
where: short stacking energy: -389.945
Base-Backbone interact. energy: 5.370
local terms energy: -449.728198
where:
bonds (distance) C4'-P energy: -85.112
bonds (distance) P-C4' energy: -92.159
flat angles C4'-P-C4' energy: -110.460
flat angles P-C4'-P energy: -74.764
tors. eta vs tors. theta energy: -87.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1040.630350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.630350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.630350 (E_RNA)
where:
Base-Base interactions energy: -669.202
where: short stacking energy: -297.551
Base-Backbone interact. energy: 0.446
local terms energy: -371.874465
where:
bonds (distance) C4'-P energy: -89.934
bonds (distance) P-C4' energy: -85.882
flat angles C4'-P-C4' energy: -89.681
flat angles P-C4'-P energy: -62.559
tors. eta vs tors. theta energy: -43.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -717.257565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.257565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.257565 (E_RNA)
where:
Base-Base interactions energy: -422.339
where: short stacking energy: -204.412
Base-Backbone interact. energy: -0.827
local terms energy: -294.091306
where:
bonds (distance) C4'-P energy: -75.193
bonds (distance) P-C4' energy: -90.345
flat angles C4'-P-C4' energy: -89.027
flat angles P-C4'-P energy: -34.021
tors. eta vs tors. theta energy: -5.506
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: 10, replica: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -431.648662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.648662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.648662 (E_RNA)
where:
Base-Base interactions energy: -149.511
where: short stacking energy: -127.712
Base-Backbone interact. energy: 1.143
local terms energy: -283.280083
where:
bonds (distance) C4'-P energy: -92.045
bonds (distance) P-C4' energy: -85.060
flat angles C4'-P-C4' energy: -62.929
flat angles P-C4'-P energy: -48.318
tors. eta vs tors. theta energy: 5.072
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: 7
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1906.445626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.445626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.445626 (E_RNA)
where:
Base-Base interactions energy: -1319.641
where: short stacking energy: -556.823
Base-Backbone interact. energy: -4.581
local terms energy: -582.223592
where:
bonds (distance) C4'-P energy: -87.730
bonds (distance) P-C4' energy: -116.125
flat angles C4'-P-C4' energy: -129.944
flat angles P-C4'-P energy: -88.549
tors. eta vs tors. theta energy: -159.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1728.924613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.924613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.924613 (E_RNA)
where:
Base-Base interactions energy: -1188.018
where: short stacking energy: -485.674
Base-Backbone interact. energy: -1.805
local terms energy: -539.101508
where:
bonds (distance) C4'-P energy: -96.582
bonds (distance) P-C4' energy: -108.501
flat angles C4'-P-C4' energy: -118.305
flat angles P-C4'-P energy: -80.871
tors. eta vs tors. theta energy: -134.842
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: 344
Temperature: 1.000000
Total energy: -1727.239544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.239544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.239544 (E_RNA)
where:
Base-Base interactions energy: -1190.501
where: short stacking energy: -524.885
Base-Backbone interact. energy: -3.346
local terms energy: -533.392715
where:
bonds (distance) C4'-P energy: -97.080
bonds (distance) P-C4' energy: -95.148
flat angles C4'-P-C4' energy: -112.625
flat angles P-C4'-P energy: -74.926
tors. eta vs tors. theta energy: -153.614
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: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1574.945113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.945113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.945113 (E_RNA)
where:
Base-Base interactions energy: -1055.120
where: short stacking energy: -463.797
Base-Backbone interact. energy: -1.331
local terms energy: -518.493658
where:
bonds (distance) C4'-P energy: -110.864
bonds (distance) P-C4' energy: -109.002
flat angles C4'-P-C4' energy: -113.006
flat angles P-C4'-P energy: -62.794
tors. eta vs tors. theta energy: -122.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1551.491017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.491017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.491017 (E_RNA)
where:
Base-Base interactions energy: -1052.719
where: short stacking energy: -462.065
Base-Backbone interact. energy: 2.297
local terms energy: -501.069320
where:
bonds (distance) C4'-P energy: -99.496
bonds (distance) P-C4' energy: -95.482
flat angles C4'-P-C4' energy: -109.292
flat angles P-C4'-P energy: -75.626
tors. eta vs tors. theta energy: -121.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1423.734367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.734367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.734367 (E_RNA)
where:
Base-Base interactions energy: -953.988
where: short stacking energy: -386.696
Base-Backbone interact. energy: -3.829
local terms energy: -465.917573
where:
bonds (distance) C4'-P energy: -98.468
bonds (distance) P-C4' energy: -102.680
flat angles C4'-P-C4' energy: -105.023
flat angles P-C4'-P energy: -64.237
tors. eta vs tors. theta energy: -95.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1288.835307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.835307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.835307 (E_RNA)
where:
Base-Base interactions energy: -827.706
where: short stacking energy: -368.465
Base-Backbone interact. energy: -0.622
local terms energy: -460.507478
where:
bonds (distance) C4'-P energy: -88.077
bonds (distance) P-C4' energy: -95.928
flat angles C4'-P-C4' energy: -102.343
flat angles P-C4'-P energy: -79.356
tors. eta vs tors. theta energy: -94.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -983.642527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.642527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.642527 (E_RNA)
where:
Base-Base interactions energy: -619.129
where: short stacking energy: -282.547
Base-Backbone interact. energy: -4.390
local terms energy: -360.124126
where:
bonds (distance) C4'-P energy: -87.976
bonds (distance) P-C4' energy: -85.442
flat angles C4'-P-C4' energy: -81.214
flat angles P-C4'-P energy: -69.842
tors. eta vs tors. theta energy: -35.650
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: 8
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -678.896064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.896064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.896064 (E_RNA)
where:
Base-Base interactions energy: -341.374
where: short stacking energy: -188.859
Base-Backbone interact. energy: 1.941
local terms energy: -339.462662
where:
bonds (distance) C4'-P energy: -96.953
bonds (distance) P-C4' energy: -91.646
flat angles C4'-P-C4' energy: -87.257
flat angles P-C4'-P energy: -53.892
tors. eta vs tors. theta energy: -9.715
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: 344
Temperature: 1.350000
Total energy: -437.401421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.401421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.401421 (E_RNA)
where:
Base-Base interactions energy: -122.453
where: short stacking energy: -103.323
Base-Backbone interact. energy: -1.555
local terms energy: -313.393668
where:
bonds (distance) C4'-P energy: -82.799
bonds (distance) P-C4' energy: -106.650
flat angles C4'-P-C4' energy: -87.712
flat angles P-C4'-P energy: -50.786
tors. eta vs tors. theta energy: 14.553
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: 7
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1925.816951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.816951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.816951 (E_RNA)
where:
Base-Base interactions energy: -1347.880
where: short stacking energy: -542.185
Base-Backbone interact. energy: -2.433
local terms energy: -575.503944
where:
bonds (distance) C4'-P energy: -111.998
bonds (distance) P-C4' energy: -110.865
flat angles C4'-P-C4' energy: -128.412
flat angles P-C4'-P energy: -66.480
tors. eta vs tors. theta energy: -157.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1772.658012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.658012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.658012 (E_RNA)
where:
Base-Base interactions energy: -1218.157
where: short stacking energy: -532.244
Base-Backbone interact. energy: 0.047
local terms energy: -554.547254
where:
bonds (distance) C4'-P energy: -97.654
bonds (distance) P-C4' energy: -104.605
flat angles C4'-P-C4' energy: -120.088
flat angles P-C4'-P energy: -75.166
tors. eta vs tors. theta energy: -157.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1702.226337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.226337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.226337 (E_RNA)
where:
Base-Base interactions energy: -1174.333
where: short stacking energy: -489.541
Base-Backbone interact. energy: -3.671
local terms energy: -524.221731
where:
bonds (distance) C4'-P energy: -105.133
bonds (distance) P-C4' energy: -101.451
flat angles C4'-P-C4' energy: -114.838
flat angles P-C4'-P energy: -70.484
tors. eta vs tors. theta energy: -132.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1592.915661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.915661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.915661 (E_RNA)
where:
Base-Base interactions energy: -1061.826
where: short stacking energy: -465.812
Base-Backbone interact. energy: -1.897
local terms energy: -529.193198
where:
bonds (distance) C4'-P energy: -103.928
bonds (distance) P-C4' energy: -104.357
flat angles C4'-P-C4' energy: -117.119
flat angles P-C4'-P energy: -77.735
tors. eta vs tors. theta energy: -126.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1510.666025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.666025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.666025 (E_RNA)
where:
Base-Base interactions energy: -985.106
where: short stacking energy: -439.472
Base-Backbone interact. energy: -1.572
local terms energy: -523.987938
where:
bonds (distance) C4'-P energy: -105.688
bonds (distance) P-C4' energy: -116.245
flat angles C4'-P-C4' energy: -101.686
flat angles P-C4'-P energy: -69.067
tors. eta vs tors. theta energy: -131.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1448.399541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.399541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.399541 (E_RNA)
where:
Base-Base interactions energy: -984.339
where: short stacking energy: -425.054
Base-Backbone interact. energy: -1.114
local terms energy: -462.946093
where:
bonds (distance) C4'-P energy: -88.384
bonds (distance) P-C4' energy: -103.359
flat angles C4'-P-C4' energy: -107.283
flat angles P-C4'-P energy: -59.367
tors. eta vs tors. theta energy: -104.554
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: 4
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1274.988245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.988245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.988245 (E_RNA)
where:
Base-Base interactions energy: -857.832
where: short stacking energy: -366.970
Base-Backbone interact. energy: 2.797
local terms energy: -419.952927
where:
bonds (distance) C4'-P energy: -96.921
bonds (distance) P-C4' energy: -81.067
flat angles C4'-P-C4' energy: -98.311
flat angles P-C4'-P energy: -62.570
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: 8, replica: 3
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1062.056307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.056307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.056307 (E_RNA)
where:
Base-Base interactions energy: -665.428
where: short stacking energy: -326.117
Base-Backbone interact. energy: -2.954
local terms energy: -393.674489
where:
bonds (distance) C4'-P energy: -92.333
bonds (distance) P-C4' energy: -86.837
flat angles C4'-P-C4' energy: -93.366
flat angles P-C4'-P energy: -59.928
tors. eta vs tors. theta energy: -61.211
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: 345
Temperature: 1.300000
Total energy: -616.777127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.777127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.777127 (E_RNA)
where:
Base-Base interactions energy: -275.748
where: short stacking energy: -155.167
Base-Backbone interact. energy: 0.721
local terms energy: -341.749262
where:
bonds (distance) C4'-P energy: -100.314
bonds (distance) P-C4' energy: -98.567
flat angles C4'-P-C4' energy: -92.647
flat angles P-C4'-P energy: -52.243
tors. eta vs tors. theta energy: 2.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -421.514970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.514970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.514970 (E_RNA)
where:
Base-Base interactions energy: -124.931
where: short stacking energy: -106.530
Base-Backbone interact. energy: 3.922
local terms energy: -300.506211
where:
bonds (distance) C4'-P energy: -107.006
bonds (distance) P-C4' energy: -91.544
flat angles C4'-P-C4' energy: -82.869
flat angles P-C4'-P energy: -41.407
tors. eta vs tors. theta energy: 22.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1912.280130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.280130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.280130 (E_RNA)
where:
Base-Base interactions energy: -1343.848
where: short stacking energy: -537.066
Base-Backbone interact. energy: 1.029
local terms energy: -569.460859
where:
bonds (distance) C4'-P energy: -110.947
bonds (distance) P-C4' energy: -109.626
flat angles C4'-P-C4' energy: -120.253
flat angles P-C4'-P energy: -72.673
tors. eta vs tors. theta energy: -155.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1777.340930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.340930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.340930 (E_RNA)
where:
Base-Base interactions energy: -1217.982
where: short stacking energy: -533.119
Base-Backbone interact. energy: 0.179
local terms energy: -559.537730
where:
bonds (distance) C4'-P energy: -94.910
bonds (distance) P-C4' energy: -107.100
flat angles C4'-P-C4' energy: -122.290
flat angles P-C4'-P energy: -83.184
tors. eta vs tors. theta energy: -152.053
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: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1693.487543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.487543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.487543 (E_RNA)
where:
Base-Base interactions energy: -1159.421
where: short stacking energy: -485.388
Base-Backbone interact. energy: -0.848
local terms energy: -533.218708
where:
bonds (distance) C4'-P energy: -101.437
bonds (distance) P-C4' energy: -107.139
flat angles C4'-P-C4' energy: -112.981
flat angles P-C4'-P energy: -82.349
tors. eta vs tors. theta energy: -129.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1621.712715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.712715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.712715 (E_RNA)
where:
Base-Base interactions energy: -1107.153
where: short stacking energy: -505.075
Base-Backbone interact. energy: -0.535
local terms energy: -514.025268
where:
bonds (distance) C4'-P energy: -78.072
bonds (distance) P-C4' energy: -99.791
flat angles C4'-P-C4' energy: -106.970
flat angles P-C4'-P energy: -85.252
tors. eta vs tors. theta energy: -143.940
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: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1509.657953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.657953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.657953 (E_RNA)
where:
Base-Base interactions energy: -1033.355
where: short stacking energy: -445.099
Base-Backbone interact. energy: 0.054
local terms energy: -476.356631
where:
bonds (distance) C4'-P energy: -82.978
bonds (distance) P-C4' energy: -99.772
flat angles C4'-P-C4' energy: -109.130
flat angles P-C4'-P energy: -72.515
tors. eta vs tors. theta energy: -111.961
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: 9
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1394.672545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.672545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.672545 (E_RNA)
where:
Base-Base interactions energy: -947.192
where: short stacking energy: -392.597
Base-Backbone interact. energy: 3.501
local terms energy: -450.981297
where:
bonds (distance) C4'-P energy: -95.445
bonds (distance) P-C4' energy: -92.913
flat angles C4'-P-C4' energy: -108.112
flat angles P-C4'-P energy: -60.156
tors. eta vs tors. theta energy: -94.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1280.953769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.953769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.953769 (E_RNA)
where:
Base-Base interactions energy: -853.197
where: short stacking energy: -346.836
Base-Backbone interact. energy: -1.123
local terms energy: -426.633542
where:
bonds (distance) C4'-P energy: -89.108
bonds (distance) P-C4' energy: -89.994
flat angles C4'-P-C4' energy: -93.226
flat angles P-C4'-P energy: -66.299
tors. eta vs tors. theta energy: -88.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1015.534441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.534441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.534441 (E_RNA)
where:
Base-Base interactions energy: -655.038
where: short stacking energy: -294.852
Base-Backbone interact. energy: -0.984
local terms energy: -359.512812
where:
bonds (distance) C4'-P energy: -83.590
bonds (distance) P-C4' energy: -84.867
flat angles C4'-P-C4' energy: -87.871
flat angles P-C4'-P energy: -48.522
tors. eta vs tors. theta energy: -54.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -687.820772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.820772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.820772 (E_RNA)
where:
Base-Base interactions energy: -355.282
where: short stacking energy: -196.930
Base-Backbone interact. energy: 0.281
local terms energy: -332.820277
where:
bonds (distance) C4'-P energy: -78.471
bonds (distance) P-C4' energy: -104.265
flat angles C4'-P-C4' energy: -80.447
flat angles P-C4'-P energy: -62.812
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -433.960122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.960122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.960122 (E_RNA)
where:
Base-Base interactions energy: -155.474
where: short stacking energy: -109.852
Base-Backbone interact. energy: -0.873
local terms energy: -277.612810
where:
bonds (distance) C4'-P energy: -86.064
bonds (distance) P-C4' energy: -104.575
flat angles C4'-P-C4' energy: -63.162
flat angles P-C4'-P energy: -54.725
tors. eta vs tors. theta energy: 30.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1923.962391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.962391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.962391 (E_RNA)
where:
Base-Base interactions energy: -1336.386
where: short stacking energy: -547.613
Base-Backbone interact. energy: -6.517
local terms energy: -581.059182
where:
bonds (distance) C4'-P energy: -107.028
bonds (distance) P-C4' energy: -111.038
flat angles C4'-P-C4' energy: -119.909
flat angles P-C4'-P energy: -78.347
tors. eta vs tors. theta energy: -164.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1803.146456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.146456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.146456 (E_RNA)
where:
Base-Base interactions energy: -1228.536
where: short stacking energy: -548.452
Base-Backbone interact. energy: -0.647
local terms energy: -573.963385
where:
bonds (distance) C4'-P energy: -110.470
bonds (distance) P-C4' energy: -104.339
flat angles C4'-P-C4' energy: -114.556
flat angles P-C4'-P energy: -83.267
tors. eta vs tors. theta energy: -161.332
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: 1
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1659.927043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.927043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.927043 (E_RNA)
where:
Base-Base interactions energy: -1139.933
where: short stacking energy: -467.661
Base-Backbone interact. energy: -1.658
local terms energy: -518.335406
where:
bonds (distance) C4'-P energy: -105.947
bonds (distance) P-C4' energy: -111.373
flat angles C4'-P-C4' energy: -108.924
flat angles P-C4'-P energy: -73.283
tors. eta vs tors. theta energy: -118.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1621.715249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.715249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.715249 (E_RNA)
where:
Base-Base interactions energy: -1093.732
where: short stacking energy: -499.189
Base-Backbone interact. energy: -4.516
local terms energy: -523.467312
where:
bonds (distance) C4'-P energy: -97.077
bonds (distance) P-C4' energy: -91.899
flat angles C4'-P-C4' energy: -113.220
flat angles P-C4'-P energy: -78.380
tors. eta vs tors. theta energy: -142.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1506.390127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.390127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.390127 (E_RNA)
where:
Base-Base interactions energy: -1002.467
where: short stacking energy: -443.813
Base-Backbone interact. energy: -1.621
local terms energy: -502.302346
where:
bonds (distance) C4'-P energy: -104.318
bonds (distance) P-C4' energy: -103.410
flat angles C4'-P-C4' energy: -110.251
flat angles P-C4'-P energy: -72.143
tors. eta vs tors. theta energy: -112.179
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: 9
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1430.045953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.045953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.045953 (E_RNA)
where:
Base-Base interactions energy: -968.293
where: short stacking energy: -423.985
Base-Backbone interact. energy: 1.125
local terms energy: -462.878132
where:
bonds (distance) C4'-P energy: -96.830
bonds (distance) P-C4' energy: -78.576
flat angles C4'-P-C4' energy: -104.764
flat angles P-C4'-P energy: -78.301
tors. eta vs tors. theta energy: -104.408
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: 347
Temperature: 1.200000
Total energy: -1309.121166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.121166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.121166 (E_RNA)
where:
Base-Base interactions energy: -861.230
where: short stacking energy: -370.962
Base-Backbone interact. energy: -0.900
local terms energy: -446.991077
where:
bonds (distance) C4'-P energy: -98.203
bonds (distance) P-C4' energy: -91.721
flat angles C4'-P-C4' energy: -95.127
flat angles P-C4'-P energy: -68.606
tors. eta vs tors. theta energy: -93.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1025.068987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.068987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.068987 (E_RNA)
where:
Base-Base interactions energy: -640.748
where: short stacking energy: -272.268
Base-Backbone interact. energy: -2.653
local terms energy: -381.668182
where:
bonds (distance) C4'-P energy: -86.038
bonds (distance) P-C4' energy: -98.011
flat angles C4'-P-C4' energy: -89.813
flat angles P-C4'-P energy: -60.274
tors. eta vs tors. theta energy: -47.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -694.503843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.503843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.503843 (E_RNA)
where:
Base-Base interactions energy: -358.269
where: short stacking energy: -179.544
Base-Backbone interact. energy: 0.577
local terms energy: -336.811581
where:
bonds (distance) C4'-P energy: -95.059
bonds (distance) P-C4' energy: -88.058
flat angles C4'-P-C4' energy: -91.741
flat angles P-C4'-P energy: -47.928
tors. eta vs tors. theta energy: -14.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -444.602169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.602169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.602169 (E_RNA)
where:
Base-Base interactions energy: -167.961
where: short stacking energy: -124.011
Base-Backbone interact. energy: 2.169
local terms energy: -278.809351
where:
bonds (distance) C4'-P energy: -87.998
bonds (distance) P-C4' energy: -102.600
flat angles C4'-P-C4' energy: -62.509
flat angles P-C4'-P energy: -43.952
tors. eta vs tors. theta energy: 18.250
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: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1915.780243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.780243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.780243 (E_RNA)
where:
Base-Base interactions energy: -1336.300
where: short stacking energy: -552.070
Base-Backbone interact. energy: -2.646
local terms energy: -576.833499
where:
bonds (distance) C4'-P energy: -117.069
bonds (distance) P-C4' energy: -109.924
flat angles C4'-P-C4' energy: -124.711
flat angles P-C4'-P energy: -66.638
tors. eta vs tors. theta energy: -158.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1784.057081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.057081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.057081 (E_RNA)
where:
Base-Base interactions energy: -1223.132
where: short stacking energy: -530.775
Base-Backbone interact. energy: 2.669
local terms energy: -563.593942
where:
bonds (distance) C4'-P energy: -106.383
bonds (distance) P-C4' energy: -108.766
flat angles C4'-P-C4' energy: -109.932
flat angles P-C4'-P energy: -83.685
tors. eta vs tors. theta energy: -154.828
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: 1
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1667.695518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.695518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.695518 (E_RNA)
where:
Base-Base interactions energy: -1161.598
where: short stacking energy: -473.240
Base-Backbone interact. energy: -0.755
local terms energy: -505.343084
where:
bonds (distance) C4'-P energy: -94.347
bonds (distance) P-C4' energy: -94.564
flat angles C4'-P-C4' energy: -110.971
flat angles P-C4'-P energy: -73.006
tors. eta vs tors. theta energy: -132.454
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: 5
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1605.795116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.795116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.795116 (E_RNA)
where:
Base-Base interactions energy: -1062.796
where: short stacking energy: -453.933
Base-Backbone interact. energy: -1.680
local terms energy: -541.319360
where:
bonds (distance) C4'-P energy: -87.234
bonds (distance) P-C4' energy: -109.433
flat angles C4'-P-C4' energy: -111.576
flat angles P-C4'-P energy: -81.693
tors. eta vs tors. theta energy: -151.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1544.413491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.413491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.413491 (E_RNA)
where:
Base-Base interactions energy: -1025.392
where: short stacking energy: -446.544
Base-Backbone interact. energy: -1.641
local terms energy: -517.381190
where:
bonds (distance) C4'-P energy: -103.371
bonds (distance) P-C4' energy: -100.530
flat angles C4'-P-C4' energy: -112.890
flat angles P-C4'-P energy: -74.740
tors. eta vs tors. theta energy: -125.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1436.383514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.383514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.383514 (E_RNA)
where:
Base-Base interactions energy: -970.844
where: short stacking energy: -401.932
Base-Backbone interact. energy: -2.300
local terms energy: -463.240193
where:
bonds (distance) C4'-P energy: -98.099
bonds (distance) P-C4' energy: -93.504
flat angles C4'-P-C4' energy: -102.598
flat angles P-C4'-P energy: -68.879
tors. eta vs tors. theta energy: -100.159
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: 348
Temperature: 1.200000
Total energy: -1265.643249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.643249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.643249 (E_RNA)
where:
Base-Base interactions energy: -872.555
where: short stacking energy: -363.208
Base-Backbone interact. energy: 8.678
local terms energy: -401.766365
where:
bonds (distance) C4'-P energy: -72.628
bonds (distance) P-C4' energy: -88.248
flat angles C4'-P-C4' energy: -106.465
flat angles P-C4'-P energy: -61.102
tors. eta vs tors. theta energy: -73.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1080.113213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.113213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.113213 (E_RNA)
where:
Base-Base interactions energy: -700.675
where: short stacking energy: -297.687
Base-Backbone interact. energy: 1.422
local terms energy: -380.859742
where:
bonds (distance) C4'-P energy: -86.370
bonds (distance) P-C4' energy: -80.870
flat angles C4'-P-C4' energy: -98.911
flat angles P-C4'-P energy: -56.880
tors. eta vs tors. theta energy: -57.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -691.652231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.652231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.652231 (E_RNA)
where:
Base-Base interactions energy: -362.479
where: short stacking energy: -194.619
Base-Backbone interact. energy: 7.036
local terms energy: -336.209253
where:
bonds (distance) C4'-P energy: -77.821
bonds (distance) P-C4' energy: -94.377
flat angles C4'-P-C4' energy: -84.708
flat angles P-C4'-P energy: -56.920
tors. eta vs tors. theta energy: -22.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -423.938780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.938780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.938780 (E_RNA)
where:
Base-Base interactions energy: -159.541
where: short stacking energy: -131.737
Base-Backbone interact. energy: 4.177
local terms energy: -268.575106
where:
bonds (distance) C4'-P energy: -79.419
bonds (distance) P-C4' energy: -93.910
flat angles C4'-P-C4' energy: -80.669
flat angles P-C4'-P energy: -26.281
tors. eta vs tors. theta energy: 11.704
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: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1894.124441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.124441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.124441 (E_RNA)
where:
Base-Base interactions energy: -1307.746
where: short stacking energy: -546.282
Base-Backbone interact. energy: -0.518
local terms energy: -585.860241
where:
bonds (distance) C4'-P energy: -110.384
bonds (distance) P-C4' energy: -110.726
flat angles C4'-P-C4' energy: -128.929
flat angles P-C4'-P energy: -74.225
tors. eta vs tors. theta energy: -161.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1784.334596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.334596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.334596 (E_RNA)
where:
Base-Base interactions energy: -1220.898
where: short stacking energy: -526.293
Base-Backbone interact. energy: -2.632
local terms energy: -560.804021
where:
bonds (distance) C4'-P energy: -109.250
bonds (distance) P-C4' energy: -96.272
flat angles C4'-P-C4' energy: -120.452
flat angles P-C4'-P energy: -86.399
tors. eta vs tors. theta energy: -148.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1674.355639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.355639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.355639 (E_RNA)
where:
Base-Base interactions energy: -1133.872
where: short stacking energy: -495.123
Base-Backbone interact. energy: -1.989
local terms energy: -538.494098
where:
bonds (distance) C4'-P energy: -99.713
bonds (distance) P-C4' energy: -103.686
flat angles C4'-P-C4' energy: -124.868
flat angles P-C4'-P energy: -76.083
tors. eta vs tors. theta energy: -134.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1572.448673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.448673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.448673 (E_RNA)
where:
Base-Base interactions energy: -1039.756
where: short stacking energy: -473.432
Base-Backbone interact. energy: 0.275
local terms energy: -532.967369
where:
bonds (distance) C4'-P energy: -102.722
bonds (distance) P-C4' energy: -113.336
flat angles C4'-P-C4' energy: -111.897
flat angles P-C4'-P energy: -61.764
tors. eta vs tors. theta energy: -143.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1505.493391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.493391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.493391 (E_RNA)
where:
Base-Base interactions energy: -995.777
where: short stacking energy: -430.519
Base-Backbone interact. energy: -3.460
local terms energy: -506.256521
where:
bonds (distance) C4'-P energy: -91.280
bonds (distance) P-C4' energy: -111.074
flat angles C4'-P-C4' energy: -104.320
flat angles P-C4'-P energy: -73.428
tors. eta vs tors. theta energy: -126.155
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: 6, replica: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1438.836010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.836010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.836010 (E_RNA)
where:
Base-Base interactions energy: -986.072
where: short stacking energy: -432.737
Base-Backbone interact. energy: -1.602
local terms energy: -451.161308
where:
bonds (distance) C4'-P energy: -85.979
bonds (distance) P-C4' energy: -82.166
flat angles C4'-P-C4' energy: -110.378
flat angles P-C4'-P energy: -62.552
tors. eta vs tors. theta energy: -110.087
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: 4
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1307.475055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.475055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.475055 (E_RNA)
where:
Base-Base interactions energy: -876.498
where: short stacking energy: -390.722
Base-Backbone interact. energy: 0.202
local terms energy: -431.178557
where:
bonds (distance) C4'-P energy: -85.129
bonds (distance) P-C4' energy: -91.207
flat angles C4'-P-C4' energy: -105.698
flat angles P-C4'-P energy: -61.807
tors. eta vs tors. theta energy: -87.337
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: 8, replica: 3
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1104.106162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.106162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.106162 (E_RNA)
where:
Base-Base interactions energy: -719.029
where: short stacking energy: -307.984
Base-Backbone interact. energy: 11.056
local terms energy: -396.132864
where:
bonds (distance) C4'-P energy: -101.242
bonds (distance) P-C4' energy: -97.393
flat angles C4'-P-C4' energy: -91.650
flat angles P-C4'-P energy: -42.285
tors. eta vs tors. theta energy: -63.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -717.698210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.698210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.698210 (E_RNA)
where:
Base-Base interactions energy: -362.107
where: short stacking energy: -200.571
Base-Backbone interact. energy: 0.538
local terms energy: -356.129630
where:
bonds (distance) C4'-P energy: -84.197
bonds (distance) P-C4' energy: -106.534
flat angles C4'-P-C4' energy: -87.953
flat angles P-C4'-P energy: -56.089
tors. eta vs tors. theta energy: -21.357
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: 349
Temperature: 1.350000
Total energy: -426.320215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.320215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.320215 (E_RNA)
where:
Base-Base interactions energy: -138.395
where: short stacking energy: -102.893
Base-Backbone interact. energy: -1.073
local terms energy: -286.851283
where:
bonds (distance) C4'-P energy: -77.632
bonds (distance) P-C4' energy: -95.191
flat angles C4'-P-C4' energy: -79.982
flat angles P-C4'-P energy: -57.382
tors. eta vs tors. theta energy: 23.335
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: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1880.851429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.851429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.851429 (E_RNA)
where:
Base-Base interactions energy: -1318.087
where: short stacking energy: -551.008
Base-Backbone interact. energy: -2.827
local terms energy: -559.937333
where:
bonds (distance) C4'-P energy: -102.298
bonds (distance) P-C4' energy: -100.512
flat angles C4'-P-C4' energy: -126.475
flat angles P-C4'-P energy: -75.978
tors. eta vs tors. theta energy: -154.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1797.795977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.795977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.795977 (E_RNA)
where:
Base-Base interactions energy: -1249.162
where: short stacking energy: -544.044
Base-Backbone interact. energy: -2.904
local terms energy: -545.730367
where:
bonds (distance) C4'-P energy: -95.935
bonds (distance) P-C4' energy: -108.538
flat angles C4'-P-C4' energy: -115.098
flat angles P-C4'-P energy: -75.411
tors. eta vs tors. theta energy: -150.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1684.842622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.842622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.842622 (E_RNA)
where:
Base-Base interactions energy: -1168.840
where: short stacking energy: -498.494
Base-Backbone interact. energy: -3.477
local terms energy: -512.525206
where:
bonds (distance) C4'-P energy: -85.000
bonds (distance) P-C4' energy: -100.890
flat angles C4'-P-C4' energy: -109.771
flat angles P-C4'-P energy: -70.317
tors. eta vs tors. theta energy: -146.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1592.856476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.856476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.856476 (E_RNA)
where:
Base-Base interactions energy: -1062.992
where: short stacking energy: -490.228
Base-Backbone interact. energy: -0.556
local terms energy: -529.308597
where:
bonds (distance) C4'-P energy: -100.221
bonds (distance) P-C4' energy: -94.601
flat angles C4'-P-C4' energy: -102.173
flat angles P-C4'-P energy: -88.876
tors. eta vs tors. theta energy: -143.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1509.412006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.412006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.412006 (E_RNA)
where:
Base-Base interactions energy: -1008.643
where: short stacking energy: -445.066
Base-Backbone interact. energy: 1.634
local terms energy: -502.402566
where:
bonds (distance) C4'-P energy: -85.718
bonds (distance) P-C4' energy: -97.664
flat angles C4'-P-C4' energy: -107.120
flat angles P-C4'-P energy: -80.047
tors. eta vs tors. theta energy: -131.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1393.410785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.410785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.410785 (E_RNA)
where:
Base-Base interactions energy: -934.783
where: short stacking energy: -390.878
Base-Backbone interact. energy: -2.193
local terms energy: -456.434386
where:
bonds (distance) C4'-P energy: -98.895
bonds (distance) P-C4' energy: -90.932
flat angles C4'-P-C4' energy: -102.614
flat angles P-C4'-P energy: -70.856
tors. eta vs tors. theta energy: -93.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1264.331542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.331542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.331542 (E_RNA)
where:
Base-Base interactions energy: -828.668
where: short stacking energy: -369.940
Base-Backbone interact. energy: -0.058
local terms energy: -435.606272
where:
bonds (distance) C4'-P energy: -86.060
bonds (distance) P-C4' energy: -88.071
flat angles C4'-P-C4' energy: -98.241
flat angles P-C4'-P energy: -69.997
tors. eta vs tors. theta energy: -93.238
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: 8, replica: 3
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1081.987799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.987799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.987799 (E_RNA)
where:
Base-Base interactions energy: -715.472
where: short stacking energy: -314.585
Base-Backbone interact. energy: -3.424
local terms energy: -363.091649
where:
bonds (distance) C4'-P energy: -67.216
bonds (distance) P-C4' energy: -99.373
flat angles C4'-P-C4' energy: -64.641
flat angles P-C4'-P energy: -63.153
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: 9, replica: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -712.681407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.681407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.681407 (E_RNA)
where:
Base-Base interactions energy: -391.594
where: short stacking energy: -235.273
Base-Backbone interact. energy: 0.828
local terms energy: -321.914966
where:
bonds (distance) C4'-P energy: -82.923
bonds (distance) P-C4' energy: -92.455
flat angles C4'-P-C4' energy: -86.525
flat angles P-C4'-P energy: -40.487
tors. eta vs tors. theta energy: -19.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -407.210092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.210092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.210092 (E_RNA)
where:
Base-Base interactions energy: -159.396
where: short stacking energy: -134.009
Base-Backbone interact. energy: 6.270
local terms energy: -254.084591
where:
bonds (distance) C4'-P energy: -87.643
bonds (distance) P-C4' energy: -87.643
flat angles C4'-P-C4' energy: -62.591
flat angles P-C4'-P energy: -35.763
tors. eta vs tors. theta energy: 19.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1871.405709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.405709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.405709 (E_RNA)
where:
Base-Base interactions energy: -1309.763
where: short stacking energy: -528.386
Base-Backbone interact. energy: -5.315
local terms energy: -556.327829
where:
bonds (distance) C4'-P energy: -98.932
bonds (distance) P-C4' energy: -113.586
flat angles C4'-P-C4' energy: -133.674
flat angles P-C4'-P energy: -61.513
tors. eta vs tors. theta energy: -148.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1796.102631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.102631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.102631 (E_RNA)
where:
Base-Base interactions energy: -1238.460
where: short stacking energy: -557.569
Base-Backbone interact. energy: 1.032
local terms energy: -558.674528
where:
bonds (distance) C4'-P energy: -94.980
bonds (distance) P-C4' energy: -95.960
flat angles C4'-P-C4' energy: -122.512
flat angles P-C4'-P energy: -81.616
tors. eta vs tors. theta energy: -163.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1651.113336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.113336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.113336 (E_RNA)
where:
Base-Base interactions energy: -1143.307
where: short stacking energy: -488.083
Base-Backbone interact. energy: -3.218
local terms energy: -504.588320
where:
bonds (distance) C4'-P energy: -97.971
bonds (distance) P-C4' energy: -98.073
flat angles C4'-P-C4' energy: -120.400
flat angles P-C4'-P energy: -61.064
tors. eta vs tors. theta energy: -127.080
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: 351
Temperature: 1.050000
Total energy: -1566.745356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.745356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.745356 (E_RNA)
where:
Base-Base interactions energy: -1084.154
where: short stacking energy: -470.766
Base-Backbone interact. energy: 0.420
local terms energy: -483.011864
where:
bonds (distance) C4'-P energy: -90.692
bonds (distance) P-C4' energy: -91.376
flat angles C4'-P-C4' energy: -100.867
flat angles P-C4'-P energy: -67.665
tors. eta vs tors. theta energy: -132.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1486.932010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.932010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.932010 (E_RNA)
where:
Base-Base interactions energy: -991.188
where: short stacking energy: -425.793
Base-Backbone interact. energy: -4.077
local terms energy: -491.667210
where:
bonds (distance) C4'-P energy: -90.197
bonds (distance) P-C4' energy: -86.991
flat angles C4'-P-C4' energy: -117.015
flat angles P-C4'-P energy: -82.691
tors. eta vs tors. theta energy: -114.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1430.546313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.546313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.546313 (E_RNA)
where:
Base-Base interactions energy: -989.986
where: short stacking energy: -413.460
Base-Backbone interact. energy: -1.958
local terms energy: -438.601548
where:
bonds (distance) C4'-P energy: -86.559
bonds (distance) P-C4' energy: -83.420
flat angles C4'-P-C4' energy: -107.027
flat angles P-C4'-P energy: -60.291
tors. eta vs tors. theta energy: -101.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1254.624851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.624851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.624851 (E_RNA)
where:
Base-Base interactions energy: -830.349
where: short stacking energy: -354.069
Base-Backbone interact. energy: -0.355
local terms energy: -423.920285
where:
bonds (distance) C4'-P energy: -79.015
bonds (distance) P-C4' energy: -97.114
flat angles C4'-P-C4' energy: -105.538
flat angles P-C4'-P energy: -62.989
tors. eta vs tors. theta energy: -79.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1045.620821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.620821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.620821 (E_RNA)
where:
Base-Base interactions energy: -630.176
where: short stacking energy: -296.606
Base-Backbone interact. energy: -0.454
local terms energy: -414.991299
where:
bonds (distance) C4'-P energy: -101.468
bonds (distance) P-C4' energy: -106.224
flat angles C4'-P-C4' energy: -91.771
flat angles P-C4'-P energy: -47.133
tors. eta vs tors. theta energy: -68.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -706.584572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.584572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.584572 (E_RNA)
where:
Base-Base interactions energy: -390.015
where: short stacking energy: -215.468
Base-Backbone interact. energy: -0.200
local terms energy: -316.369862
where:
bonds (distance) C4'-P energy: -81.856
bonds (distance) P-C4' energy: -82.521
flat angles C4'-P-C4' energy: -92.207
flat angles P-C4'-P energy: -43.185
tors. eta vs tors. theta energy: -16.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -451.377211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.377211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.377211 (E_RNA)
where:
Base-Base interactions energy: -171.860
where: short stacking energy: -138.517
Base-Backbone interact. energy: 2.294
local terms energy: -281.810994
where:
bonds (distance) C4'-P energy: -84.464
bonds (distance) P-C4' energy: -91.843
flat angles C4'-P-C4' energy: -83.724
flat angles P-C4'-P energy: -48.094
tors. eta vs tors. theta energy: 26.315
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: 7
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1890.543708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.543708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.543708 (E_RNA)
where:
Base-Base interactions energy: -1300.708
where: short stacking energy: -534.209
Base-Backbone interact. energy: -4.622
local terms energy: -585.213388
where:
bonds (distance) C4'-P energy: -103.186
bonds (distance) P-C4' energy: -108.283
flat angles C4'-P-C4' energy: -123.839
flat angles P-C4'-P energy: -93.561
tors. eta vs tors. theta energy: -156.345
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: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1787.143117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.143117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.143117 (E_RNA)
where:
Base-Base interactions energy: -1214.616
where: short stacking energy: -541.377
Base-Backbone interact. energy: -5.781
local terms energy: -566.746106
where:
bonds (distance) C4'-P energy: -97.023
bonds (distance) P-C4' energy: -103.576
flat angles C4'-P-C4' energy: -123.347
flat angles P-C4'-P energy: -83.197
tors. eta vs tors. theta energy: -159.602
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: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1646.160051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.160051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.160051 (E_RNA)
where:
Base-Base interactions energy: -1124.103
where: short stacking energy: -460.021
Base-Backbone interact. energy: -1.359
local terms energy: -520.698663
where:
bonds (distance) C4'-P energy: -107.337
bonds (distance) P-C4' energy: -108.779
flat angles C4'-P-C4' energy: -110.853
flat angles P-C4'-P energy: -69.220
tors. eta vs tors. theta energy: -124.510
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: 4, replica: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1596.082023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.082023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.082023 (E_RNA)
where:
Base-Base interactions energy: -1082.479
where: short stacking energy: -479.301
Base-Backbone interact. energy: -2.001
local terms energy: -511.601696
where:
bonds (distance) C4'-P energy: -99.947
bonds (distance) P-C4' energy: -92.439
flat angles C4'-P-C4' energy: -102.602
flat angles P-C4'-P energy: -71.000
tors. eta vs tors. theta energy: -145.614
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: 6
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1529.438819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.438819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.438819 (E_RNA)
where:
Base-Base interactions energy: -1036.679
where: short stacking energy: -446.023
Base-Backbone interact. energy: -2.354
local terms energy: -490.405309
where:
bonds (distance) C4'-P energy: -96.597
bonds (distance) P-C4' energy: -103.601
flat angles C4'-P-C4' energy: -106.886
flat angles P-C4'-P energy: -63.587
tors. eta vs tors. theta energy: -119.735
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: 352
Temperature: 1.150000
Total energy: -1388.156288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.156288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.156288 (E_RNA)
where:
Base-Base interactions energy: -945.049
where: short stacking energy: -379.747
Base-Backbone interact. energy: -3.260
local terms energy: -439.847402
where:
bonds (distance) C4'-P energy: -105.069
bonds (distance) P-C4' energy: -102.452
flat angles C4'-P-C4' energy: -79.850
flat angles P-C4'-P energy: -62.453
tors. eta vs tors. theta energy: -90.023
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: 4
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1339.038324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.038324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.038324 (E_RNA)
where:
Base-Base interactions energy: -869.050
where: short stacking energy: -373.527
Base-Backbone interact. energy: 1.580
local terms energy: -471.568226
where:
bonds (distance) C4'-P energy: -97.826
bonds (distance) P-C4' energy: -100.268
flat angles C4'-P-C4' energy: -112.518
flat angles P-C4'-P energy: -69.171
tors. eta vs tors. theta energy: -91.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1037.824353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.824353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.824353 (E_RNA)
where:
Base-Base interactions energy: -679.248
where: short stacking energy: -314.422
Base-Backbone interact. energy: 12.402
local terms energy: -370.979234
where:
bonds (distance) C4'-P energy: -86.384
bonds (distance) P-C4' energy: -86.326
flat angles C4'-P-C4' energy: -97.848
flat angles P-C4'-P energy: -53.479
tors. eta vs tors. theta energy: -46.943
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: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -658.439518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.439518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.439518 (E_RNA)
where:
Base-Base interactions energy: -341.736
where: short stacking energy: -173.025
Base-Backbone interact. energy: -1.761
local terms energy: -314.942377
where:
bonds (distance) C4'-P energy: -79.427
bonds (distance) P-C4' energy: -87.986
flat angles C4'-P-C4' energy: -77.505
flat angles P-C4'-P energy: -62.243
tors. eta vs tors. theta energy: -7.781
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: 352
Temperature: 1.350000
Total energy: -431.375287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.375287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.375287 (E_RNA)
where:
Base-Base interactions energy: -167.695
where: short stacking energy: -124.107
Base-Backbone interact. energy: -2.517
local terms energy: -261.163428
where:
bonds (distance) C4'-P energy: -82.739
bonds (distance) P-C4' energy: -83.497
flat angles C4'-P-C4' energy: -65.748
flat angles P-C4'-P energy: -52.043
tors. eta vs tors. theta energy: 22.863
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: 1, replica: 7
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1874.876027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.876027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.876027 (E_RNA)
where:
Base-Base interactions energy: -1306.484
where: short stacking energy: -537.599
Base-Backbone interact. energy: -7.571
local terms energy: -560.820817
where:
bonds (distance) C4'-P energy: -115.297
bonds (distance) P-C4' energy: -102.616
flat angles C4'-P-C4' energy: -116.268
flat angles P-C4'-P energy: -80.801
tors. eta vs tors. theta energy: -145.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1777.381371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.381371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.381371 (E_RNA)
where:
Base-Base interactions energy: -1200.328
where: short stacking energy: -536.350
Base-Backbone interact. energy: -1.369
local terms energy: -575.684258
where:
bonds (distance) C4'-P energy: -118.741
bonds (distance) P-C4' energy: -111.584
flat angles C4'-P-C4' energy: -120.545
flat angles P-C4'-P energy: -69.818
tors. eta vs tors. theta energy: -154.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1655.931391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.931391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.931391 (E_RNA)
where:
Base-Base interactions energy: -1125.637
where: short stacking energy: -485.369
Base-Backbone interact. energy: -2.947
local terms energy: -527.346922
where:
bonds (distance) C4'-P energy: -101.014
bonds (distance) P-C4' energy: -104.560
flat angles C4'-P-C4' energy: -113.678
flat angles P-C4'-P energy: -76.615
tors. eta vs tors. theta energy: -131.480
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: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1593.443891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.443891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.443891 (E_RNA)
where:
Base-Base interactions energy: -1062.400
where: short stacking energy: -476.836
Base-Backbone interact. energy: 0.843
local terms energy: -531.887372
where:
bonds (distance) C4'-P energy: -101.853
bonds (distance) P-C4' energy: -119.887
flat angles C4'-P-C4' energy: -110.507
flat angles P-C4'-P energy: -72.377
tors. eta vs tors. theta energy: -127.264
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: 6
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1584.586379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.586379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.586379 (E_RNA)
where:
Base-Base interactions energy: -1067.660
where: short stacking energy: -431.511
Base-Backbone interact. energy: -1.972
local terms energy: -514.954339
where:
bonds (distance) C4'-P energy: -112.181
bonds (distance) P-C4' energy: -101.853
flat angles C4'-P-C4' energy: -110.884
flat angles P-C4'-P energy: -65.153
tors. eta vs tors. theta energy: -124.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1438.195763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.195763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.195763 (E_RNA)
where:
Base-Base interactions energy: -989.663
where: short stacking energy: -398.689
Base-Backbone interact. energy: -1.796
local terms energy: -446.737379
where:
bonds (distance) C4'-P energy: -75.196
bonds (distance) P-C4' energy: -93.134
flat angles C4'-P-C4' energy: -103.267
flat angles P-C4'-P energy: -77.461
tors. eta vs tors. theta energy: -97.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1296.625410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.625410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.625410 (E_RNA)
where:
Base-Base interactions energy: -873.788
where: short stacking energy: -358.500
Base-Backbone interact. energy: 4.455
local terms energy: -427.292236
where:
bonds (distance) C4'-P energy: -75.979
bonds (distance) P-C4' energy: -100.226
flat angles C4'-P-C4' energy: -110.309
flat angles P-C4'-P energy: -53.226
tors. eta vs tors. theta energy: -87.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1099.164426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.164426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.164426 (E_RNA)
where:
Base-Base interactions energy: -705.746
where: short stacking energy: -319.492
Base-Backbone interact. energy: -0.670
local terms energy: -392.747659
where:
bonds (distance) C4'-P energy: -83.669
bonds (distance) P-C4' energy: -87.041
flat angles C4'-P-C4' energy: -96.898
flat angles P-C4'-P energy: -68.663
tors. eta vs tors. theta energy: -56.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -688.437237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.437237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.437237 (E_RNA)
where:
Base-Base interactions energy: -337.708
where: short stacking energy: -174.310
Base-Backbone interact. energy: -1.562
local terms energy: -349.166778
where:
bonds (distance) C4'-P energy: -94.119
bonds (distance) P-C4' energy: -95.768
flat angles C4'-P-C4' energy: -80.239
flat angles P-C4'-P energy: -55.229
tors. eta vs tors. theta energy: -23.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -439.053490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.053490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.053490 (E_RNA)
where:
Base-Base interactions energy: -143.495
where: short stacking energy: -96.504
Base-Backbone interact. energy: -2.525
local terms energy: -293.033267
where:
bonds (distance) C4'-P energy: -83.949
bonds (distance) P-C4' energy: -108.257
flat angles C4'-P-C4' energy: -89.402
flat angles P-C4'-P energy: -40.412
tors. eta vs tors. theta energy: 28.987
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: 1, replica: 7
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1894.663673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.663673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.663673 (E_RNA)
where:
Base-Base interactions energy: -1294.682
where: short stacking energy: -533.533
Base-Backbone interact. energy: -6.199
local terms energy: -593.782697
where:
bonds (distance) C4'-P energy: -101.060
bonds (distance) P-C4' energy: -117.300
flat angles C4'-P-C4' energy: -132.083
flat angles P-C4'-P energy: -87.921
tors. eta vs tors. theta energy: -155.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1803.233771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.233771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.233771 (E_RNA)
where:
Base-Base interactions energy: -1227.823
where: short stacking energy: -552.166
Base-Backbone interact. energy: -1.339
local terms energy: -574.071520
where:
bonds (distance) C4'-P energy: -98.680
bonds (distance) P-C4' energy: -118.397
flat angles C4'-P-C4' energy: -121.943
flat angles P-C4'-P energy: -80.143
tors. eta vs tors. theta energy: -154.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1697.078200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.078200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.078200 (E_RNA)
where:
Base-Base interactions energy: -1184.603
where: short stacking energy: -512.524
Base-Backbone interact. energy: -4.685
local terms energy: -507.791045
where:
bonds (distance) C4'-P energy: -107.258
bonds (distance) P-C4' energy: -90.679
flat angles C4'-P-C4' energy: -113.701
flat angles P-C4'-P energy: -67.711
tors. eta vs tors. theta energy: -128.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1609.537445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.537445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.537445 (E_RNA)
where:
Base-Base interactions energy: -1108.557
where: short stacking energy: -506.444
Base-Backbone interact. energy: 5.220
local terms energy: -506.200019
where:
bonds (distance) C4'-P energy: -86.097
bonds (distance) P-C4' energy: -100.322
flat angles C4'-P-C4' energy: -110.738
flat angles P-C4'-P energy: -73.464
tors. eta vs tors. theta energy: -135.580
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: 6
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1543.759981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.759981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.759981 (E_RNA)
where:
Base-Base interactions energy: -1069.654
where: short stacking energy: -475.027
Base-Backbone interact. energy: 1.479
local terms energy: -475.584969
where:
bonds (distance) C4'-P energy: -86.089
bonds (distance) P-C4' energy: -83.505
flat angles C4'-P-C4' energy: -118.677
flat angles P-C4'-P energy: -60.162
tors. eta vs tors. theta energy: -127.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1400.789977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.789977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.789977 (E_RNA)
where:
Base-Base interactions energy: -944.853
where: short stacking energy: -424.701
Base-Backbone interact. energy: 0.574
local terms energy: -456.510342
where:
bonds (distance) C4'-P energy: -88.928
bonds (distance) P-C4' energy: -77.809
flat angles C4'-P-C4' energy: -116.541
flat angles P-C4'-P energy: -56.688
tors. eta vs tors. theta energy: -116.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1294.017285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.017285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.017285 (E_RNA)
where:
Base-Base interactions energy: -862.978
where: short stacking energy: -357.458
Base-Backbone interact. energy: -2.116
local terms energy: -428.923344
where:
bonds (distance) C4'-P energy: -77.635
bonds (distance) P-C4' energy: -93.332
flat angles C4'-P-C4' energy: -105.161
flat angles P-C4'-P energy: -72.717
tors. eta vs tors. theta energy: -80.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1063.139057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.139057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.139057 (E_RNA)
where:
Base-Base interactions energy: -695.330
where: short stacking energy: -286.746
Base-Backbone interact. energy: -4.275
local terms energy: -363.533698
where:
bonds (distance) C4'-P energy: -66.038
bonds (distance) P-C4' energy: -92.363
flat angles C4'-P-C4' energy: -105.780
flat angles P-C4'-P energy: -58.440
tors. eta vs tors. theta energy: -40.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -671.083478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.083478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.083478 (E_RNA)
where:
Base-Base interactions energy: -350.608
where: short stacking energy: -201.885
Base-Backbone interact. energy: 2.930
local terms energy: -323.405674
where:
bonds (distance) C4'-P energy: -94.142
bonds (distance) P-C4' energy: -84.675
flat angles C4'-P-C4' energy: -87.408
flat angles P-C4'-P energy: -53.087
tors. eta vs tors. theta energy: -4.093
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: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -417.713258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.713258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.713258 (E_RNA)
where:
Base-Base interactions energy: -166.457
where: short stacking energy: -133.671
Base-Backbone interact. energy: 1.992
local terms energy: -253.247895
where:
bonds (distance) C4'-P energy: -88.309
bonds (distance) P-C4' energy: -98.502
flat angles C4'-P-C4' energy: -43.962
flat angles P-C4'-P energy: -38.449
tors. eta vs tors. theta energy: 15.974
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: 1, replica: 7
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1916.791971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.791971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.791971 (E_RNA)
where:
Base-Base interactions energy: -1371.644
where: short stacking energy: -555.834
Base-Backbone interact. energy: 4.038
local terms energy: -549.186593
where:
bonds (distance) C4'-P energy: -108.169
bonds (distance) P-C4' energy: -87.082
flat angles C4'-P-C4' energy: -125.674
flat angles P-C4'-P energy: -75.965
tors. eta vs tors. theta energy: -152.296
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: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1791.138865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.138865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.138865 (E_RNA)
where:
Base-Base interactions energy: -1234.196
where: short stacking energy: -551.010
Base-Backbone interact. energy: -2.223
local terms energy: -554.719899
where:
bonds (distance) C4'-P energy: -102.894
bonds (distance) P-C4' energy: -102.014
flat angles C4'-P-C4' energy: -112.674
flat angles P-C4'-P energy: -69.971
tors. eta vs tors. theta energy: -167.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1667.979240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.979240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.979240 (E_RNA)
where:
Base-Base interactions energy: -1134.827
where: short stacking energy: -471.120
Base-Backbone interact. energy: -2.271
local terms energy: -530.881161
where:
bonds (distance) C4'-P energy: -106.567
bonds (distance) P-C4' energy: -104.508
flat angles C4'-P-C4' energy: -114.291
flat angles P-C4'-P energy: -81.199
tors. eta vs tors. theta energy: -124.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1553.589129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.589129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.589129 (E_RNA)
where:
Base-Base interactions energy: -1051.100
where: short stacking energy: -492.929
Base-Backbone interact. energy: -1.271
local terms energy: -501.218191
where:
bonds (distance) C4'-P energy: -97.936
bonds (distance) P-C4' energy: -94.314
flat angles C4'-P-C4' energy: -105.614
flat angles P-C4'-P energy: -62.566
tors. eta vs tors. theta energy: -140.789
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: 5, replica: 5
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1555.682028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.682028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.682028 (E_RNA)
where:
Base-Base interactions energy: -1050.181
where: short stacking energy: -465.854
Base-Backbone interact. energy: -0.713
local terms energy: -504.788469
where:
bonds (distance) C4'-P energy: -98.867
bonds (distance) P-C4' energy: -75.521
flat angles C4'-P-C4' energy: -114.777
flat angles P-C4'-P energy: -76.923
tors. eta vs tors. theta energy: -138.701
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: 355
Temperature: 1.150000
Total energy: -1374.461574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.461574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.461574 (E_RNA)
where:
Base-Base interactions energy: -939.466
where: short stacking energy: -383.656
Base-Backbone interact. energy: -1.046
local terms energy: -433.950169
where:
bonds (distance) C4'-P energy: -90.341
bonds (distance) P-C4' energy: -87.427
flat angles C4'-P-C4' energy: -105.266
flat angles P-C4'-P energy: -59.252
tors. eta vs tors. theta energy: -91.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1198.577980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.577980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.577980 (E_RNA)
where:
Base-Base interactions energy: -782.569
where: short stacking energy: -337.267
Base-Backbone interact. energy: 2.871
local terms energy: -418.880447
where:
bonds (distance) C4'-P energy: -98.790
bonds (distance) P-C4' energy: -81.449
flat angles C4'-P-C4' energy: -99.165
flat angles P-C4'-P energy: -54.687
tors. eta vs tors. theta energy: -84.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1063.961682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.961682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.961682 (E_RNA)
where:
Base-Base interactions energy: -675.342
where: short stacking energy: -291.757
Base-Backbone interact. energy: -2.207
local terms energy: -386.412941
where:
bonds (distance) C4'-P energy: -92.542
bonds (distance) P-C4' energy: -88.402
flat angles C4'-P-C4' energy: -95.881
flat angles P-C4'-P energy: -64.549
tors. eta vs tors. theta energy: -45.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -658.716595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.716595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.716595 (E_RNA)
where:
Base-Base interactions energy: -329.976
where: short stacking energy: -183.337
Base-Backbone interact. energy: 5.461
local terms energy: -334.200857
where:
bonds (distance) C4'-P energy: -88.259
bonds (distance) P-C4' energy: -102.088
flat angles C4'-P-C4' energy: -83.629
flat angles P-C4'-P energy: -54.553
tors. eta vs tors. theta energy: -5.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -439.633431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.633431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.633431 (E_RNA)
where:
Base-Base interactions energy: -163.406
where: short stacking energy: -139.663
Base-Backbone interact. energy: 9.920
local terms energy: -286.147428
where:
bonds (distance) C4'-P energy: -98.347
bonds (distance) P-C4' energy: -95.142
flat angles C4'-P-C4' energy: -64.842
flat angles P-C4'-P energy: -52.992
tors. eta vs tors. theta energy: 25.176
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: 7
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1893.344376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.344376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.344376 (E_RNA)
where:
Base-Base interactions energy: -1303.057
where: short stacking energy: -524.006
Base-Backbone interact. energy: -3.946
local terms energy: -586.341949
where:
bonds (distance) C4'-P energy: -112.447
bonds (distance) P-C4' energy: -110.600
flat angles C4'-P-C4' energy: -123.546
flat angles P-C4'-P energy: -83.414
tors. eta vs tors. theta energy: -156.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1800.048053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.048053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.048053 (E_RNA)
where:
Base-Base interactions energy: -1212.380
where: short stacking energy: -542.069
Base-Backbone interact. energy: -1.301
local terms energy: -586.366519
where:
bonds (distance) C4'-P energy: -98.144
bonds (distance) P-C4' energy: -108.999
flat angles C4'-P-C4' energy: -127.022
flat angles P-C4'-P energy: -90.538
tors. eta vs tors. theta energy: -161.663
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: 1
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1677.426963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.426963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.426963 (E_RNA)
where:
Base-Base interactions energy: -1167.451
where: short stacking energy: -487.945
Base-Backbone interact. energy: -3.343
local terms energy: -506.632546
where:
bonds (distance) C4'-P energy: -96.043
bonds (distance) P-C4' energy: -104.350
flat angles C4'-P-C4' energy: -107.667
flat angles P-C4'-P energy: -71.890
tors. eta vs tors. theta energy: -126.682
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: 6
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1521.154131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.154131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.154131 (E_RNA)
where:
Base-Base interactions energy: -1045.921
where: short stacking energy: -421.693
Base-Backbone interact. energy: 3.070
local terms energy: -478.302266
where:
bonds (distance) C4'-P energy: -103.661
bonds (distance) P-C4' energy: -87.908
flat angles C4'-P-C4' energy: -104.710
flat angles P-C4'-P energy: -69.768
tors. eta vs tors. theta energy: -112.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1503.110525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.110525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.110525 (E_RNA)
where:
Base-Base interactions energy: -1022.981
where: short stacking energy: -447.192
Base-Backbone interact. energy: -1.812
local terms energy: -478.317758
where:
bonds (distance) C4'-P energy: -84.796
bonds (distance) P-C4' energy: -99.156
flat angles C4'-P-C4' energy: -99.804
flat angles P-C4'-P energy: -83.547
tors. eta vs tors. theta energy: -111.015
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: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1385.534298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.534298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.534298 (E_RNA)
where:
Base-Base interactions energy: -936.098
where: short stacking energy: -414.886
Base-Backbone interact. energy: -2.702
local terms energy: -446.733613
where:
bonds (distance) C4'-P energy: -87.185
bonds (distance) P-C4' energy: -105.346
flat angles C4'-P-C4' energy: -89.316
flat angles P-C4'-P energy: -56.141
tors. eta vs tors. theta energy: -108.745
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: 4
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1241.428049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.428049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.428049 (E_RNA)
where:
Base-Base interactions energy: -814.515
where: short stacking energy: -357.332
Base-Backbone interact. energy: 0.907
local terms energy: -427.820218
where:
bonds (distance) C4'-P energy: -94.072
bonds (distance) P-C4' energy: -115.016
flat angles C4'-P-C4' energy: -94.312
flat angles P-C4'-P energy: -53.024
tors. eta vs tors. theta energy: -71.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1064.040549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.040549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.040549 (E_RNA)
where:
Base-Base interactions energy: -650.782
where: short stacking energy: -302.994
Base-Backbone interact. energy: -2.215
local terms energy: -411.042907
where:
bonds (distance) C4'-P energy: -87.834
bonds (distance) P-C4' energy: -90.974
flat angles C4'-P-C4' energy: -95.624
flat angles P-C4'-P energy: -64.036
tors. eta vs tors. theta energy: -72.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -698.972329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.972329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.972329 (E_RNA)
where:
Base-Base interactions energy: -364.522
where: short stacking energy: -202.085
Base-Backbone interact. energy: 0.741
local terms energy: -335.191452
where:
bonds (distance) C4'-P energy: -89.040
bonds (distance) P-C4' energy: -100.697
flat angles C4'-P-C4' energy: -79.922
flat angles P-C4'-P energy: -55.713
tors. eta vs tors. theta energy: -9.820
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: 356
Temperature: 1.350000
Total energy: -426.840201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.840201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.840201 (E_RNA)
where:
Base-Base interactions energy: -146.129
where: short stacking energy: -104.838
Base-Backbone interact. energy: -0.771
local terms energy: -279.939887
where:
bonds (distance) C4'-P energy: -90.941
bonds (distance) P-C4' energy: -81.745
flat angles C4'-P-C4' energy: -81.887
flat angles P-C4'-P energy: -44.912
tors. eta vs tors. theta energy: 19.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1898.463947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.463947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.463947 (E_RNA)
where:
Base-Base interactions energy: -1343.276
where: short stacking energy: -556.407
Base-Backbone interact. energy: -7.601
local terms energy: -547.586770
where:
bonds (distance) C4'-P energy: -96.135
bonds (distance) P-C4' energy: -103.910
flat angles C4'-P-C4' energy: -120.706
flat angles P-C4'-P energy: -70.415
tors. eta vs tors. theta energy: -156.421
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: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1790.462757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.462757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.462757 (E_RNA)
where:
Base-Base interactions energy: -1225.081
where: short stacking energy: -526.115
Base-Backbone interact. energy: -2.414
local terms energy: -562.967768
where:
bonds (distance) C4'-P energy: -108.135
bonds (distance) P-C4' energy: -105.980
flat angles C4'-P-C4' energy: -114.588
flat angles P-C4'-P energy: -78.977
tors. eta vs tors. theta energy: -155.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1674.933081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.933081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.933081 (E_RNA)
where:
Base-Base interactions energy: -1130.192
where: short stacking energy: -496.611
Base-Backbone interact. energy: -1.468
local terms energy: -543.272106
where:
bonds (distance) C4'-P energy: -104.143
bonds (distance) P-C4' energy: -111.198
flat angles C4'-P-C4' energy: -117.854
flat angles P-C4'-P energy: -71.285
tors. eta vs tors. theta energy: -138.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1500.819883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.819883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.819883 (E_RNA)
where:
Base-Base interactions energy: -1024.884
where: short stacking energy: -443.840
Base-Backbone interact. energy: -0.694
local terms energy: -475.242141
where:
bonds (distance) C4'-P energy: -88.725
bonds (distance) P-C4' energy: -98.657
flat angles C4'-P-C4' energy: -102.345
flat angles P-C4'-P energy: -79.040
tors. eta vs tors. theta energy: -106.475
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: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1501.502722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.502722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.502722 (E_RNA)
where:
Base-Base interactions energy: -1009.227
where: short stacking energy: -454.918
Base-Backbone interact. energy: 1.542
local terms energy: -493.817609
where:
bonds (distance) C4'-P energy: -91.165
bonds (distance) P-C4' energy: -104.024
flat angles C4'-P-C4' energy: -100.936
flat angles P-C4'-P energy: -71.067
tors. eta vs tors. theta energy: -126.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1350.144488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.144488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.144488 (E_RNA)
where:
Base-Base interactions energy: -893.916
where: short stacking energy: -401.211
Base-Backbone interact. energy: -3.299
local terms energy: -452.929390
where:
bonds (distance) C4'-P energy: -94.871
bonds (distance) P-C4' energy: -98.724
flat angles C4'-P-C4' energy: -99.419
flat angles P-C4'-P energy: -59.888
tors. eta vs tors. theta energy: -100.027
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: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1293.519127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.519127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.519127 (E_RNA)
where:
Base-Base interactions energy: -878.269
where: short stacking energy: -356.624
Base-Backbone interact. energy: -2.308
local terms energy: -412.942486
where:
bonds (distance) C4'-P energy: -84.059
bonds (distance) P-C4' energy: -101.771
flat angles C4'-P-C4' energy: -89.265
flat angles P-C4'-P energy: -60.319
tors. eta vs tors. theta energy: -77.529
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: 3
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1067.195396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.195396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.195396 (E_RNA)
where:
Base-Base interactions energy: -668.435
where: short stacking energy: -291.977
Base-Backbone interact. energy: 0.388
local terms energy: -399.148597
where:
bonds (distance) C4'-P energy: -77.826
bonds (distance) P-C4' energy: -109.789
flat angles C4'-P-C4' energy: -96.697
flat angles P-C4'-P energy: -68.844
tors. eta vs tors. theta energy: -45.991
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: 8
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -700.288692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.288692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.288692 (E_RNA)
where:
Base-Base interactions energy: -384.514
where: short stacking energy: -215.552
Base-Backbone interact. energy: -1.085
local terms energy: -314.690193
where:
bonds (distance) C4'-P energy: -75.557
bonds (distance) P-C4' energy: -87.978
flat angles C4'-P-C4' energy: -89.567
flat angles P-C4'-P energy: -20.279
tors. eta vs tors. theta energy: -41.309
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: 357
Temperature: 1.350000
Total energy: -430.425225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.425225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.425225 (E_RNA)
where:
Base-Base interactions energy: -169.546
where: short stacking energy: -128.966
Base-Backbone interact. energy: -3.499
local terms energy: -257.380543
where:
bonds (distance) C4'-P energy: -82.465
bonds (distance) P-C4' energy: -86.769
flat angles C4'-P-C4' energy: -58.202
flat angles P-C4'-P energy: -63.836
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: 1, replica: 7
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1891.418346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.418346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.418346 (E_RNA)
where:
Base-Base interactions energy: -1321.492
where: short stacking energy: -545.601
Base-Backbone interact. energy: -1.527
local terms energy: -568.398625
where:
bonds (distance) C4'-P energy: -110.157
bonds (distance) P-C4' energy: -105.713
flat angles C4'-P-C4' energy: -123.575
flat angles P-C4'-P energy: -76.376
tors. eta vs tors. theta energy: -152.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1795.005107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.005107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.005107 (E_RNA)
where:
Base-Base interactions energy: -1213.713
where: short stacking energy: -533.974
Base-Backbone interact. energy: -2.097
local terms energy: -579.194740
where:
bonds (distance) C4'-P energy: -108.277
bonds (distance) P-C4' energy: -108.848
flat angles C4'-P-C4' energy: -121.119
flat angles P-C4'-P energy: -88.910
tors. eta vs tors. theta energy: -152.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1688.170634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.170634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.170634 (E_RNA)
where:
Base-Base interactions energy: -1158.697
where: short stacking energy: -499.079
Base-Backbone interact. energy: -2.695
local terms energy: -526.778166
where:
bonds (distance) C4'-P energy: -95.395
bonds (distance) P-C4' energy: -114.152
flat angles C4'-P-C4' energy: -104.000
flat angles P-C4'-P energy: -73.971
tors. eta vs tors. theta energy: -139.260
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: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1583.455906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.455906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.455906 (E_RNA)
where:
Base-Base interactions energy: -1046.969
where: short stacking energy: -481.711
Base-Backbone interact. energy: -3.180
local terms energy: -533.306732
where:
bonds (distance) C4'-P energy: -98.770
bonds (distance) P-C4' energy: -109.254
flat angles C4'-P-C4' energy: -105.641
flat angles P-C4'-P energy: -77.406
tors. eta vs tors. theta energy: -142.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1525.453636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.453636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.453636 (E_RNA)
where:
Base-Base interactions energy: -1031.157
where: short stacking energy: -455.123
Base-Backbone interact. energy: -1.281
local terms energy: -493.015122
where:
bonds (distance) C4'-P energy: -90.761
bonds (distance) P-C4' energy: -100.092
flat angles C4'-P-C4' energy: -91.437
flat angles P-C4'-P energy: -80.645
tors. eta vs tors. theta energy: -130.081
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: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1343.515672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.515672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.515672 (E_RNA)
where:
Base-Base interactions energy: -888.734
where: short stacking energy: -383.446
Base-Backbone interact. energy: -2.344
local terms energy: -452.437643
where:
bonds (distance) C4'-P energy: -89.471
bonds (distance) P-C4' energy: -103.744
flat angles C4'-P-C4' energy: -107.218
flat angles P-C4'-P energy: -63.885
tors. eta vs tors. theta energy: -88.120
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: 4
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1272.177452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.177452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.177452 (E_RNA)
where:
Base-Base interactions energy: -845.994
where: short stacking energy: -366.503
Base-Backbone interact. energy: 1.008
local terms energy: -427.191867
where:
bonds (distance) C4'-P energy: -75.285
bonds (distance) P-C4' energy: -100.050
flat angles C4'-P-C4' energy: -90.651
flat angles P-C4'-P energy: -74.445
tors. eta vs tors. theta energy: -86.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1068.911466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.911466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.911466 (E_RNA)
where:
Base-Base interactions energy: -699.082
where: short stacking energy: -309.346
Base-Backbone interact. energy: -0.414
local terms energy: -369.415719
where:
bonds (distance) C4'-P energy: -85.383
bonds (distance) P-C4' energy: -104.010
flat angles C4'-P-C4' energy: -70.402
flat angles P-C4'-P energy: -55.673
tors. eta vs tors. theta energy: -53.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -657.414405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.414405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.414405 (E_RNA)
where:
Base-Base interactions energy: -335.914
where: short stacking energy: -188.103
Base-Backbone interact. energy: 1.017
local terms energy: -322.517824
where:
bonds (distance) C4'-P energy: -82.534
bonds (distance) P-C4' energy: -105.834
flat angles C4'-P-C4' energy: -70.836
flat angles P-C4'-P energy: -59.642
tors. eta vs tors. theta energy: -3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -416.967316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.967316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.967316 (E_RNA)
where:
Base-Base interactions energy: -131.936
where: short stacking energy: -117.866
Base-Backbone interact. energy: 0.517
local terms energy: -285.547669
where:
bonds (distance) C4'-P energy: -93.988
bonds (distance) P-C4' energy: -89.293
flat angles C4'-P-C4' energy: -77.968
flat angles P-C4'-P energy: -34.931
tors. eta vs tors. theta energy: 10.633
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: 7
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1917.960301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.960301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.960301 (E_RNA)
where:
Base-Base interactions energy: -1352.860
where: short stacking energy: -560.012
Base-Backbone interact. energy: -3.536
local terms energy: -561.564158
where:
bonds (distance) C4'-P energy: -102.441
bonds (distance) P-C4' energy: -110.928
flat angles C4'-P-C4' energy: -121.620
flat angles P-C4'-P energy: -71.860
tors. eta vs tors. theta energy: -154.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1803.594774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.594774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.594774 (E_RNA)
where:
Base-Base interactions energy: -1213.927
where: short stacking energy: -545.917
Base-Backbone interact. energy: -2.835
local terms energy: -586.833641
where:
bonds (distance) C4'-P energy: -107.924
bonds (distance) P-C4' energy: -101.434
flat angles C4'-P-C4' energy: -121.730
flat angles P-C4'-P energy: -88.791
tors. eta vs tors. theta energy: -166.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1715.469574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.469574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.469574 (E_RNA)
where:
Base-Base interactions energy: -1172.751
where: short stacking energy: -484.329
Base-Backbone interact. energy: -3.225
local terms energy: -539.494053
where:
bonds (distance) C4'-P energy: -99.787
bonds (distance) P-C4' energy: -122.042
flat angles C4'-P-C4' energy: -114.281
flat angles P-C4'-P energy: -64.945
tors. eta vs tors. theta energy: -138.439
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: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1583.113871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.113871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.113871 (E_RNA)
where:
Base-Base interactions energy: -1054.707
where: short stacking energy: -472.307
Base-Backbone interact. energy: -1.697
local terms energy: -526.709715
where:
bonds (distance) C4'-P energy: -95.260
bonds (distance) P-C4' energy: -106.762
flat angles C4'-P-C4' energy: -111.741
flat angles P-C4'-P energy: -77.552
tors. eta vs tors. theta energy: -135.394
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: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1514.392510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.392510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.392510 (E_RNA)
where:
Base-Base interactions energy: -1027.772
where: short stacking energy: -429.025
Base-Backbone interact. energy: -2.192
local terms energy: -484.429150
where:
bonds (distance) C4'-P energy: -83.309
bonds (distance) P-C4' energy: -107.152
flat angles C4'-P-C4' energy: -106.512
flat angles P-C4'-P energy: -78.657
tors. eta vs tors. theta energy: -108.800
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: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1373.008972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.008972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.008972 (E_RNA)
where:
Base-Base interactions energy: -913.039
where: short stacking energy: -379.748
Base-Backbone interact. energy: -1.533
local terms energy: -458.436735
where:
bonds (distance) C4'-P energy: -97.304
bonds (distance) P-C4' energy: -92.505
flat angles C4'-P-C4' energy: -117.074
flat angles P-C4'-P energy: -57.588
tors. eta vs tors. theta energy: -93.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1254.366280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.366280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.366280 (E_RNA)
where:
Base-Base interactions energy: -836.698
where: short stacking energy: -377.058
Base-Backbone interact. energy: -2.410
local terms energy: -415.258346
where:
bonds (distance) C4'-P energy: -79.953
bonds (distance) P-C4' energy: -94.748
flat angles C4'-P-C4' energy: -101.960
flat angles P-C4'-P energy: -58.047
tors. eta vs tors. theta energy: -80.550
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: 3
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1043.154367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.154367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.154367 (E_RNA)
where:
Base-Base interactions energy: -675.718
where: short stacking energy: -295.972
Base-Backbone interact. energy: 0.097
local terms energy: -367.534009
where:
bonds (distance) C4'-P energy: -72.216
bonds (distance) P-C4' energy: -90.440
flat angles C4'-P-C4' energy: -97.757
flat angles P-C4'-P energy: -61.841
tors. eta vs tors. theta energy: -45.281
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: 8
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -666.780516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.780516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.780516 (E_RNA)
where:
Base-Base interactions energy: -359.198
where: short stacking energy: -198.835
Base-Backbone interact. energy: 2.752
local terms energy: -310.334031
where:
bonds (distance) C4'-P energy: -91.053
bonds (distance) P-C4' energy: -81.078
flat angles C4'-P-C4' energy: -90.173
flat angles P-C4'-P energy: -34.935
tors. eta vs tors. theta energy: -13.094
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: 10, replica: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -447.181643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.181643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.181643 (E_RNA)
where:
Base-Base interactions energy: -182.032
where: short stacking energy: -136.527
Base-Backbone interact. energy: -2.426
local terms energy: -262.723205
where:
bonds (distance) C4'-P energy: -74.211
bonds (distance) P-C4' energy: -94.600
flat angles C4'-P-C4' energy: -66.226
flat angles P-C4'-P energy: -41.458
tors. eta vs tors. theta energy: 13.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1918.326098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.326098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.326098 (E_RNA)
where:
Base-Base interactions energy: -1338.279
where: short stacking energy: -552.507
Base-Backbone interact. energy: -5.273
local terms energy: -574.773783
where:
bonds (distance) C4'-P energy: -110.090
bonds (distance) P-C4' energy: -104.626
flat angles C4'-P-C4' energy: -130.919
flat angles P-C4'-P energy: -65.051
tors. eta vs tors. theta energy: -164.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1763.100453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.100453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.100453 (E_RNA)
where:
Base-Base interactions energy: -1200.296
where: short stacking energy: -534.602
Base-Backbone interact. energy: -1.263
local terms energy: -561.540978
where:
bonds (distance) C4'-P energy: -99.838
bonds (distance) P-C4' energy: -107.774
flat angles C4'-P-C4' energy: -127.859
flat angles P-C4'-P energy: -73.650
tors. eta vs tors. theta energy: -152.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1692.523670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.523670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.523670 (E_RNA)
where:
Base-Base interactions energy: -1161.741
where: short stacking energy: -487.275
Base-Backbone interact. energy: -2.014
local terms energy: -528.768187
where:
bonds (distance) C4'-P energy: -100.581
bonds (distance) P-C4' energy: -105.664
flat angles C4'-P-C4' energy: -110.658
flat angles P-C4'-P energy: -78.425
tors. eta vs tors. theta energy: -133.440
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: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1626.006788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.006788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.006788 (E_RNA)
where:
Base-Base interactions energy: -1149.278
where: short stacking energy: -485.585
Base-Backbone interact. energy: -3.999
local terms energy: -472.729979
where:
bonds (distance) C4'-P energy: -94.572
bonds (distance) P-C4' energy: -84.792
flat angles C4'-P-C4' energy: -102.489
flat angles P-C4'-P energy: -61.545
tors. eta vs tors. theta energy: -129.332
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: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1504.838007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.838007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.838007 (E_RNA)
where:
Base-Base interactions energy: -1014.551
where: short stacking energy: -443.908
Base-Backbone interact. energy: -1.096
local terms energy: -489.191363
where:
bonds (distance) C4'-P energy: -103.352
bonds (distance) P-C4' energy: -89.669
flat angles C4'-P-C4' energy: -98.605
flat angles P-C4'-P energy: -80.174
tors. eta vs tors. theta energy: -117.391
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: 9
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1365.907181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.907181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.907181 (E_RNA)
where:
Base-Base interactions energy: -912.250
where: short stacking energy: -383.527
Base-Backbone interact. energy: -6.115
local terms energy: -447.541880
where:
bonds (distance) C4'-P energy: -92.098
bonds (distance) P-C4' energy: -101.713
flat angles C4'-P-C4' energy: -85.579
flat angles P-C4'-P energy: -76.059
tors. eta vs tors. theta energy: -92.093
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: 7, replica: 4
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1256.882033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.882033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.882033 (E_RNA)
where:
Base-Base interactions energy: -850.031
where: short stacking energy: -364.318
Base-Backbone interact. energy: -0.852
local terms energy: -405.998416
where:
bonds (distance) C4'-P energy: -91.119
bonds (distance) P-C4' energy: -82.623
flat angles C4'-P-C4' energy: -97.750
flat angles P-C4'-P energy: -52.078
tors. eta vs tors. theta energy: -82.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1060.086801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.086801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.086801 (E_RNA)
where:
Base-Base interactions energy: -673.050
where: short stacking energy: -318.371
Base-Backbone interact. energy: -0.769
local terms energy: -386.267179
where:
bonds (distance) C4'-P energy: -92.292
bonds (distance) P-C4' energy: -80.265
flat angles C4'-P-C4' energy: -75.929
flat angles P-C4'-P energy: -73.019
tors. eta vs tors. theta energy: -64.763
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: 8
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -683.583430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.583430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.583430 (E_RNA)
where:
Base-Base interactions energy: -320.920
where: short stacking energy: -202.914
Base-Backbone interact. energy: -0.337
local terms energy: -362.326118
where:
bonds (distance) C4'-P energy: -84.178
bonds (distance) P-C4' energy: -107.711
flat angles C4'-P-C4' energy: -97.458
flat angles P-C4'-P energy: -50.240
tors. eta vs tors. theta energy: -22.738
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: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -428.700136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.700136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.700136 (E_RNA)
where:
Base-Base interactions energy: -152.169
where: short stacking energy: -128.483
Base-Backbone interact. energy: 3.678
local terms energy: -280.209594
where:
bonds (distance) C4'-P energy: -101.511
bonds (distance) P-C4' energy: -94.637
flat angles C4'-P-C4' energy: -67.586
flat angles P-C4'-P energy: -42.894
tors. eta vs tors. theta energy: 26.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1890.521372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.521372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.521372 (E_RNA)
where:
Base-Base interactions energy: -1322.554
where: short stacking energy: -566.353
Base-Backbone interact. energy: -1.290
local terms energy: -566.676801
where:
bonds (distance) C4'-P energy: -103.788
bonds (distance) P-C4' energy: -104.454
flat angles C4'-P-C4' energy: -124.781
flat angles P-C4'-P energy: -73.170
tors. eta vs tors. theta energy: -160.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1778.794688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.794688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.794688 (E_RNA)
where:
Base-Base interactions energy: -1207.175
where: short stacking energy: -549.723
Base-Backbone interact. energy: -3.374
local terms energy: -568.245435
where:
bonds (distance) C4'-P energy: -100.894
bonds (distance) P-C4' energy: -114.986
flat angles C4'-P-C4' energy: -106.208
flat angles P-C4'-P energy: -88.590
tors. eta vs tors. theta energy: -157.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1660.903619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.903619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.903619 (E_RNA)
where:
Base-Base interactions energy: -1118.373
where: short stacking energy: -503.228
Base-Backbone interact. energy: -1.433
local terms energy: -541.097828
where:
bonds (distance) C4'-P energy: -95.999
bonds (distance) P-C4' energy: -117.200
flat angles C4'-P-C4' energy: -114.850
flat angles P-C4'-P energy: -75.256
tors. eta vs tors. theta energy: -137.794
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: 4, replica: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1632.495313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.495313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.495313 (E_RNA)
where:
Base-Base interactions energy: -1126.233
where: short stacking energy: -471.031
Base-Backbone interact. energy: -4.656
local terms energy: -501.606826
where:
bonds (distance) C4'-P energy: -104.225
bonds (distance) P-C4' energy: -99.722
flat angles C4'-P-C4' energy: -105.365
flat angles P-C4'-P energy: -66.238
tors. eta vs tors. theta energy: -126.058
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: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1465.094490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.094490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.094490 (E_RNA)
where:
Base-Base interactions energy: -947.523
where: short stacking energy: -428.355
Base-Backbone interact. energy: 0.127
local terms energy: -517.697918
where:
bonds (distance) C4'-P energy: -99.211
bonds (distance) P-C4' energy: -112.880
flat angles C4'-P-C4' energy: -111.315
flat angles P-C4'-P energy: -75.372
tors. eta vs tors. theta energy: -118.921
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: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1353.728168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.728168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.728168 (E_RNA)
where:
Base-Base interactions energy: -924.915
where: short stacking energy: -374.790
Base-Backbone interact. energy: -3.713
local terms energy: -425.099976
where:
bonds (distance) C4'-P energy: -89.192
bonds (distance) P-C4' energy: -98.834
flat angles C4'-P-C4' energy: -82.268
flat angles P-C4'-P energy: -69.284
tors. eta vs tors. theta energy: -85.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1285.984765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.984765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.984765 (E_RNA)
where:
Base-Base interactions energy: -834.618
where: short stacking energy: -362.481
Base-Backbone interact. energy: -1.852
local terms energy: -449.513963
where:
bonds (distance) C4'-P energy: -101.606
bonds (distance) P-C4' energy: -109.048
flat angles C4'-P-C4' energy: -91.636
flat angles P-C4'-P energy: -63.879
tors. eta vs tors. theta energy: -83.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1047.343481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.343481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.343481 (E_RNA)
where:
Base-Base interactions energy: -668.755
where: short stacking energy: -287.147
Base-Backbone interact. energy: -1.994
local terms energy: -376.594579
where:
bonds (distance) C4'-P energy: -82.171
bonds (distance) P-C4' energy: -88.602
flat angles C4'-P-C4' energy: -89.234
flat angles P-C4'-P energy: -57.180
tors. eta vs tors. theta energy: -59.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -655.763394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.763394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.763394 (E_RNA)
where:
Base-Base interactions energy: -329.271
where: short stacking energy: -175.809
Base-Backbone interact. energy: -0.941
local terms energy: -325.551743
where:
bonds (distance) C4'-P energy: -96.788
bonds (distance) P-C4' energy: -89.702
flat angles C4'-P-C4' energy: -66.028
flat angles P-C4'-P energy: -52.066
tors. eta vs tors. theta energy: -20.969
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: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -459.115340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.115340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.115340 (E_RNA)
where:
Base-Base interactions energy: -188.635
where: short stacking energy: -129.995
Base-Backbone interact. energy: -0.365
local terms energy: -270.114801
where:
bonds (distance) C4'-P energy: -97.652
bonds (distance) P-C4' energy: -82.247
flat angles C4'-P-C4' energy: -68.739
flat angles P-C4'-P energy: -43.639
tors. eta vs tors. theta energy: 22.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1841.955415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.955415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.955415 (E_RNA)
where:
Base-Base interactions energy: -1287.611
where: short stacking energy: -551.018
Base-Backbone interact. energy: -3.004
local terms energy: -551.341222
where:
bonds (distance) C4'-P energy: -105.840
bonds (distance) P-C4' energy: -109.811
flat angles C4'-P-C4' energy: -123.319
flat angles P-C4'-P energy: -62.824
tors. eta vs tors. theta energy: -149.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1763.084322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.084322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.084322 (E_RNA)
where:
Base-Base interactions energy: -1204.743
where: short stacking energy: -536.362
Base-Backbone interact. energy: -0.519
local terms energy: -557.821682
where:
bonds (distance) C4'-P energy: -98.261
bonds (distance) P-C4' energy: -104.498
flat angles C4'-P-C4' energy: -119.948
flat angles P-C4'-P energy: -81.355
tors. eta vs tors. theta energy: -153.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1694.833167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.833167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.833167 (E_RNA)
where:
Base-Base interactions energy: -1118.603
where: short stacking energy: -505.444
Base-Backbone interact. energy: -3.753
local terms energy: -572.477819
where:
bonds (distance) C4'-P energy: -101.036
bonds (distance) P-C4' energy: -110.791
flat angles C4'-P-C4' energy: -107.671
flat angles P-C4'-P energy: -88.288
tors. eta vs tors. theta energy: -164.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1615.407320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.407320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.407320 (E_RNA)
where:
Base-Base interactions energy: -1103.026
where: short stacking energy: -474.040
Base-Backbone interact. energy: -0.082
local terms energy: -512.299063
where:
bonds (distance) C4'-P energy: -101.542
bonds (distance) P-C4' energy: -95.890
flat angles C4'-P-C4' energy: -103.260
flat angles P-C4'-P energy: -68.353
tors. eta vs tors. theta energy: -143.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1537.663051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.663051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.663051 (E_RNA)
where:
Base-Base interactions energy: -1025.851
where: short stacking energy: -407.845
Base-Backbone interact. energy: -1.560
local terms energy: -510.252137
where:
bonds (distance) C4'-P energy: -107.946
bonds (distance) P-C4' energy: -103.223
flat angles C4'-P-C4' energy: -106.782
flat angles P-C4'-P energy: -77.634
tors. eta vs tors. theta energy: -114.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1381.749602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.749602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.749602 (E_RNA)
where:
Base-Base interactions energy: -926.628
where: short stacking energy: -419.612
Base-Backbone interact. energy: -1.743
local terms energy: -453.378934
where:
bonds (distance) C4'-P energy: -77.483
bonds (distance) P-C4' energy: -91.380
flat angles C4'-P-C4' energy: -116.326
flat angles P-C4'-P energy: -66.922
tors. eta vs tors. theta energy: -101.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1282.919729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.919729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.919729 (E_RNA)
where:
Base-Base interactions energy: -867.514
where: short stacking energy: -347.514
Base-Backbone interact. energy: 1.659
local terms energy: -417.064856
where:
bonds (distance) C4'-P energy: -104.529
bonds (distance) P-C4' energy: -97.326
flat angles C4'-P-C4' energy: -96.537
flat angles P-C4'-P energy: -42.412
tors. eta vs tors. theta energy: -76.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1065.811954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.811954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.811954 (E_RNA)
where:
Base-Base interactions energy: -706.235
where: short stacking energy: -322.044
Base-Backbone interact. energy: -2.366
local terms energy: -357.211104
where:
bonds (distance) C4'-P energy: -73.796
bonds (distance) P-C4' energy: -93.160
flat angles C4'-P-C4' energy: -85.661
flat angles P-C4'-P energy: -35.079
tors. eta vs tors. theta energy: -69.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -631.096498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.096498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.096498 (E_RNA)
where:
Base-Base interactions energy: -309.682
where: short stacking energy: -193.902
Base-Backbone interact. energy: 0.761
local terms energy: -322.175561
where:
bonds (distance) C4'-P energy: -94.256
bonds (distance) P-C4' energy: -84.448
flat angles C4'-P-C4' energy: -92.664
flat angles P-C4'-P energy: -45.605
tors. eta vs tors. theta energy: -5.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -427.506089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.506089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.506089 (E_RNA)
where:
Base-Base interactions energy: -147.530
where: short stacking energy: -113.198
Base-Backbone interact. energy: 1.769
local terms energy: -281.745725
where:
bonds (distance) C4'-P energy: -96.882
bonds (distance) P-C4' energy: -100.283
flat angles C4'-P-C4' energy: -79.932
flat angles P-C4'-P energy: -37.631
tors. eta vs tors. theta energy: 32.982
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: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1872.153233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.153233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.153233 (E_RNA)
where:
Base-Base interactions energy: -1283.622
where: short stacking energy: -545.067
Base-Backbone interact. energy: 2.150
local terms energy: -590.681421
where:
bonds (distance) C4'-P energy: -115.771
bonds (distance) P-C4' energy: -114.070
flat angles C4'-P-C4' energy: -117.734
flat angles P-C4'-P energy: -80.993
tors. eta vs tors. theta energy: -162.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1799.682036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.682036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.682036 (E_RNA)
where:
Base-Base interactions energy: -1228.523
where: short stacking energy: -537.415
Base-Backbone interact. energy: -2.959
local terms energy: -568.199967
where:
bonds (distance) C4'-P energy: -94.951
bonds (distance) P-C4' energy: -104.495
flat angles C4'-P-C4' energy: -118.995
flat angles P-C4'-P energy: -86.268
tors. eta vs tors. theta energy: -163.492
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: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1677.920328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.920328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.920328 (E_RNA)
where:
Base-Base interactions energy: -1138.761
where: short stacking energy: -515.869
Base-Backbone interact. energy: -0.755
local terms energy: -538.405055
where:
bonds (distance) C4'-P energy: -91.847
bonds (distance) P-C4' energy: -99.083
flat angles C4'-P-C4' energy: -126.028
flat angles P-C4'-P energy: -70.184
tors. eta vs tors. theta energy: -151.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1602.866215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.866215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.866215 (E_RNA)
where:
Base-Base interactions energy: -1101.917
where: short stacking energy: -465.510
Base-Backbone interact. energy: 0.899
local terms energy: -501.848429
where:
bonds (distance) C4'-P energy: -91.400
bonds (distance) P-C4' energy: -102.664
flat angles C4'-P-C4' energy: -120.809
flat angles P-C4'-P energy: -60.340
tors. eta vs tors. theta energy: -126.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1492.410428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.410428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.410428 (E_RNA)
where:
Base-Base interactions energy: -982.467
where: short stacking energy: -428.824
Base-Backbone interact. energy: -0.742
local terms energy: -509.201845
where:
bonds (distance) C4'-P energy: -98.651
bonds (distance) P-C4' energy: -111.437
flat angles C4'-P-C4' energy: -109.148
flat angles P-C4'-P energy: -79.124
tors. eta vs tors. theta energy: -110.842
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: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1350.093837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.093837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.093837 (E_RNA)
where:
Base-Base interactions energy: -873.224
where: short stacking energy: -381.539
Base-Backbone interact. energy: -4.048
local terms energy: -472.822793
where:
bonds (distance) C4'-P energy: -91.422
bonds (distance) P-C4' energy: -107.444
flat angles C4'-P-C4' energy: -103.682
flat angles P-C4'-P energy: -73.759
tors. eta vs tors. theta energy: -96.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1287.667263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.667263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.667263 (E_RNA)
where:
Base-Base interactions energy: -862.641
where: short stacking energy: -366.496
Base-Backbone interact. energy: -0.317
local terms energy: -424.709389
where:
bonds (distance) C4'-P energy: -89.655
bonds (distance) P-C4' energy: -101.412
flat angles C4'-P-C4' energy: -102.189
flat angles P-C4'-P energy: -51.261
tors. eta vs tors. theta energy: -80.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1022.712793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.712793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.712793 (E_RNA)
where:
Base-Base interactions energy: -627.116
where: short stacking energy: -268.946
Base-Backbone interact. energy: -2.615
local terms energy: -392.981700
where:
bonds (distance) C4'-P energy: -94.978
bonds (distance) P-C4' energy: -92.474
flat angles C4'-P-C4' energy: -97.328
flat angles P-C4'-P energy: -62.569
tors. eta vs tors. theta energy: -45.633
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: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -682.209687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.209687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.209687 (E_RNA)
where:
Base-Base interactions energy: -373.347
where: short stacking energy: -194.292
Base-Backbone interact. energy: 1.043
local terms energy: -309.905362
where:
bonds (distance) C4'-P energy: -92.138
bonds (distance) P-C4' energy: -72.084
flat angles C4'-P-C4' energy: -82.327
flat angles P-C4'-P energy: -43.100
tors. eta vs tors. theta energy: -20.257
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: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -431.650733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.650733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.650733 (E_RNA)
where:
Base-Base interactions energy: -158.833
where: short stacking energy: -120.628
Base-Backbone interact. energy: 1.753
local terms energy: -274.571009
where:
bonds (distance) C4'-P energy: -104.493
bonds (distance) P-C4' energy: -87.914
flat angles C4'-P-C4' energy: -79.993
flat angles P-C4'-P energy: -25.277
tors. eta vs tors. theta energy: 23.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1872.956909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.956909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.956909 (E_RNA)
where:
Base-Base interactions energy: -1309.928
where: short stacking energy: -554.987
Base-Backbone interact. energy: -0.290
local terms energy: -562.739532
where:
bonds (distance) C4'-P energy: -96.362
bonds (distance) P-C4' energy: -107.890
flat angles C4'-P-C4' energy: -124.845
flat angles P-C4'-P energy: -80.179
tors. eta vs tors. theta energy: -153.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1778.926036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.926036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.926036 (E_RNA)
where:
Base-Base interactions energy: -1218.154
where: short stacking energy: -521.703
Base-Backbone interact. energy: 0.253
local terms energy: -561.025605
where:
bonds (distance) C4'-P energy: -101.816
bonds (distance) P-C4' energy: -100.208
flat angles C4'-P-C4' energy: -116.507
flat angles P-C4'-P energy: -84.920
tors. eta vs tors. theta energy: -157.575
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: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1704.598102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.598102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.598102 (E_RNA)
where:
Base-Base interactions energy: -1129.325
where: short stacking energy: -520.790
Base-Backbone interact. energy: -1.461
local terms energy: -573.811630
where:
bonds (distance) C4'-P energy: -102.213
bonds (distance) P-C4' energy: -99.980
flat angles C4'-P-C4' energy: -120.088
flat angles P-C4'-P energy: -85.258
tors. eta vs tors. theta energy: -166.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1601.584525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.584525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.584525 (E_RNA)
where:
Base-Base interactions energy: -1081.476
where: short stacking energy: -451.129
Base-Backbone interact. energy: -4.216
local terms energy: -515.892240
where:
bonds (distance) C4'-P energy: -100.155
bonds (distance) P-C4' energy: -110.302
flat angles C4'-P-C4' energy: -107.009
flat angles P-C4'-P energy: -70.597
tors. eta vs tors. theta energy: -127.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1485.338198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.338198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.338198 (E_RNA)
where:
Base-Base interactions energy: -988.639
where: short stacking energy: -434.119
Base-Backbone interact. energy: -1.210
local terms energy: -495.488945
where:
bonds (distance) C4'-P energy: -94.853
bonds (distance) P-C4' energy: -102.460
flat angles C4'-P-C4' energy: -111.382
flat angles P-C4'-P energy: -64.922
tors. eta vs tors. theta energy: -121.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1362.402070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.402070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.402070 (E_RNA)
where:
Base-Base interactions energy: -927.638
where: short stacking energy: -386.326
Base-Backbone interact. energy: -0.241
local terms energy: -434.523434
where:
bonds (distance) C4'-P energy: -87.825
bonds (distance) P-C4' energy: -97.069
flat angles C4'-P-C4' energy: -98.271
flat angles P-C4'-P energy: -64.852
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: 7, replica: 4
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1256.573436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.573436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.573436 (E_RNA)
where:
Base-Base interactions energy: -835.519
where: short stacking energy: -340.528
Base-Backbone interact. energy: 2.336
local terms energy: -423.390826
where:
bonds (distance) C4'-P energy: -84.022
bonds (distance) P-C4' energy: -88.143
flat angles C4'-P-C4' energy: -104.643
flat angles P-C4'-P energy: -70.534
tors. eta vs tors. theta energy: -76.049
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: 8, replica: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1113.653138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.653138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.653138 (E_RNA)
where:
Base-Base interactions energy: -731.176
where: short stacking energy: -342.668
Base-Backbone interact. energy: 0.039
local terms energy: -382.516438
where:
bonds (distance) C4'-P energy: -90.331
bonds (distance) P-C4' energy: -81.820
flat angles C4'-P-C4' energy: -88.072
flat angles P-C4'-P energy: -53.467
tors. eta vs tors. theta energy: -68.826
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: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -674.969317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.969317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.969317 (E_RNA)
where:
Base-Base interactions energy: -333.323
where: short stacking energy: -198.137
Base-Backbone interact. energy: -1.527
local terms energy: -340.119521
where:
bonds (distance) C4'-P energy: -99.557
bonds (distance) P-C4' energy: -103.500
flat angles C4'-P-C4' energy: -79.888
flat angles P-C4'-P energy: -46.918
tors. eta vs tors. theta energy: -10.257
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: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -448.435617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.435617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.435617 (E_RNA)
where:
Base-Base interactions energy: -157.319
where: short stacking energy: -135.953
Base-Backbone interact. energy: -1.011
local terms energy: -290.105532
where:
bonds (distance) C4'-P energy: -86.240
bonds (distance) P-C4' energy: -98.458
flat angles C4'-P-C4' energy: -71.285
flat angles P-C4'-P energy: -51.026
tors. eta vs tors. theta energy: 16.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1846.255172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.255172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.255172 (E_RNA)
where:
Base-Base interactions energy: -1277.619
where: short stacking energy: -536.278
Base-Backbone interact. energy: 0.738
local terms energy: -569.374347
where:
bonds (distance) C4'-P energy: -101.481
bonds (distance) P-C4' energy: -106.469
flat angles C4'-P-C4' energy: -120.119
flat angles P-C4'-P energy: -84.892
tors. eta vs tors. theta energy: -156.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1760.605357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.605357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.605357 (E_RNA)
where:
Base-Base interactions energy: -1187.316
where: short stacking energy: -548.776
Base-Backbone interact. energy: -3.078
local terms energy: -570.211174
where:
bonds (distance) C4'-P energy: -102.344
bonds (distance) P-C4' energy: -102.275
flat angles C4'-P-C4' energy: -123.744
flat angles P-C4'-P energy: -80.045
tors. eta vs tors. theta energy: -161.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1691.934777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.934777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.934777 (E_RNA)
where:
Base-Base interactions energy: -1147.872
where: short stacking energy: -515.941
Base-Backbone interact. energy: -0.727
local terms energy: -543.335579
where:
bonds (distance) C4'-P energy: -100.704
bonds (distance) P-C4' energy: -103.370
flat angles C4'-P-C4' energy: -110.096
flat angles P-C4'-P energy: -76.166
tors. eta vs tors. theta energy: -153.000
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: 1
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1611.853936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.853936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.853936 (E_RNA)
where:
Base-Base interactions energy: -1119.956
where: short stacking energy: -471.563
Base-Backbone interact. energy: -0.734
local terms energy: -491.163338
where:
bonds (distance) C4'-P energy: -97.333
bonds (distance) P-C4' energy: -90.489
flat angles C4'-P-C4' energy: -110.180
flat angles P-C4'-P energy: -70.955
tors. eta vs tors. theta energy: -122.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1473.834212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.834212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.834212 (E_RNA)
where:
Base-Base interactions energy: -997.659
where: short stacking energy: -441.766
Base-Backbone interact. energy: 3.012
local terms energy: -479.187715
where:
bonds (distance) C4'-P energy: -94.711
bonds (distance) P-C4' energy: -101.037
flat angles C4'-P-C4' energy: -107.128
flat angles P-C4'-P energy: -67.807
tors. eta vs tors. theta energy: -108.504
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: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1247.944324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.944324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.944324 (E_RNA)
where:
Base-Base interactions energy: -805.311
where: short stacking energy: -344.057
Base-Backbone interact. energy: 0.035
local terms energy: -442.668393
where:
bonds (distance) C4'-P energy: -82.436
bonds (distance) P-C4' energy: -102.223
flat angles C4'-P-C4' energy: -103.788
flat angles P-C4'-P energy: -81.026
tors. eta vs tors. theta energy: -73.195
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: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1270.516139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.516139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.516139 (E_RNA)
where:
Base-Base interactions energy: -840.880
where: short stacking energy: -350.637
Base-Backbone interact. energy: 2.273
local terms energy: -431.909311
where:
bonds (distance) C4'-P energy: -101.729
bonds (distance) P-C4' energy: -91.345
flat angles C4'-P-C4' energy: -91.849
flat angles P-C4'-P energy: -54.265
tors. eta vs tors. theta energy: -92.721
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: 3
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1083.458221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.458221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.458221 (E_RNA)
where:
Base-Base interactions energy: -689.707
where: short stacking energy: -316.208
Base-Backbone interact. energy: 2.109
local terms energy: -395.859479
where:
bonds (distance) C4'-P energy: -89.682
bonds (distance) P-C4' energy: -103.064
flat angles C4'-P-C4' energy: -97.450
flat angles P-C4'-P energy: -46.445
tors. eta vs tors. theta energy: -59.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -630.545571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.545571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.545571 (E_RNA)
where:
Base-Base interactions energy: -303.070
where: short stacking energy: -177.319
Base-Backbone interact. energy: -0.221
local terms energy: -327.254707
where:
bonds (distance) C4'-P energy: -84.019
bonds (distance) P-C4' energy: -93.979
flat angles C4'-P-C4' energy: -91.188
flat angles P-C4'-P energy: -49.397
tors. eta vs tors. theta energy: -8.673
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: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -410.479253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.479253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.479253 (E_RNA)
where:
Base-Base interactions energy: -148.762
where: short stacking energy: -122.365
Base-Backbone interact. energy: -0.738
local terms energy: -260.978996
where:
bonds (distance) C4'-P energy: -81.772
bonds (distance) P-C4' energy: -93.955
flat angles C4'-P-C4' energy: -57.996
flat angles P-C4'-P energy: -49.932
tors. eta vs tors. theta energy: 22.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1850.954096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.954096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.954096 (E_RNA)
where:
Base-Base interactions energy: -1293.445
where: short stacking energy: -530.988
Base-Backbone interact. energy: -2.674
local terms energy: -554.834443
where:
bonds (distance) C4'-P energy: -94.105
bonds (distance) P-C4' energy: -111.398
flat angles C4'-P-C4' energy: -122.701
flat angles P-C4'-P energy: -81.461
tors. eta vs tors. theta energy: -145.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1783.912861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.912861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.912861 (E_RNA)
where:
Base-Base interactions energy: -1195.431
where: short stacking energy: -540.149
Base-Backbone interact. energy: -1.672
local terms energy: -586.810591
where:
bonds (distance) C4'-P energy: -112.764
bonds (distance) P-C4' energy: -112.634
flat angles C4'-P-C4' energy: -118.236
flat angles P-C4'-P energy: -86.617
tors. eta vs tors. theta energy: -156.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1694.067757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.067757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.067757 (E_RNA)
where:
Base-Base interactions energy: -1141.611
where: short stacking energy: -500.542
Base-Backbone interact. energy: -0.922
local terms energy: -551.534600
where:
bonds (distance) C4'-P energy: -86.502
bonds (distance) P-C4' energy: -103.226
flat angles C4'-P-C4' energy: -119.857
flat angles P-C4'-P energy: -86.393
tors. eta vs tors. theta energy: -155.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1604.990047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.990047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.990047 (E_RNA)
where:
Base-Base interactions energy: -1091.199
where: short stacking energy: -479.364
Base-Backbone interact. energy: 0.535
local terms energy: -514.325623
where:
bonds (distance) C4'-P energy: -107.851
bonds (distance) P-C4' energy: -96.379
flat angles C4'-P-C4' energy: -110.037
flat angles P-C4'-P energy: -73.475
tors. eta vs tors. theta energy: -126.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1506.537961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.537961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.537961 (E_RNA)
where:
Base-Base interactions energy: -1012.156
where: short stacking energy: -459.394
Base-Backbone interact. energy: -1.205
local terms energy: -493.176562
where:
bonds (distance) C4'-P energy: -93.343
bonds (distance) P-C4' energy: -102.752
flat angles C4'-P-C4' energy: -111.605
flat angles P-C4'-P energy: -64.467
tors. eta vs tors. theta energy: -121.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1231.823714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.823714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.823714 (E_RNA)
where:
Base-Base interactions energy: -795.963
where: short stacking energy: -362.492
Base-Backbone interact. energy: 1.018
local terms energy: -436.879328
where:
bonds (distance) C4'-P energy: -93.084
bonds (distance) P-C4' energy: -117.196
flat angles C4'-P-C4' energy: -82.149
flat angles P-C4'-P energy: -66.709
tors. eta vs tors. theta energy: -77.741
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: 7, replica: 9
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1297.784344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.784344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.784344 (E_RNA)
where:
Base-Base interactions energy: -850.226
where: short stacking energy: -364.452
Base-Backbone interact. energy: -1.918
local terms energy: -445.640796
where:
bonds (distance) C4'-P energy: -93.718
bonds (distance) P-C4' energy: -94.001
flat angles C4'-P-C4' energy: -104.321
flat angles P-C4'-P energy: -53.060
tors. eta vs tors. theta energy: -100.540
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: 3
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1123.077951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.077951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.077951 (E_RNA)
where:
Base-Base interactions energy: -731.977
where: short stacking energy: -309.201
Base-Backbone interact. energy: 1.999
local terms energy: -393.099548
where:
bonds (distance) C4'-P energy: -93.918
bonds (distance) P-C4' energy: -88.027
flat angles C4'-P-C4' energy: -91.493
flat angles P-C4'-P energy: -56.995
tors. eta vs tors. theta energy: -62.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -656.942775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.942775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.942775 (E_RNA)
where:
Base-Base interactions energy: -319.445
where: short stacking energy: -175.004
Base-Backbone interact. energy: -0.682
local terms energy: -336.816171
where:
bonds (distance) C4'-P energy: -90.273
bonds (distance) P-C4' energy: -99.112
flat angles C4'-P-C4' energy: -95.894
flat angles P-C4'-P energy: -53.991
tors. eta vs tors. theta energy: 2.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -426.311933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.311933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.311933 (E_RNA)
where:
Base-Base interactions energy: -161.362
where: short stacking energy: -124.368
Base-Backbone interact. energy: 6.243
local terms energy: -271.192903
where:
bonds (distance) C4'-P energy: -75.097
bonds (distance) P-C4' energy: -101.092
flat angles C4'-P-C4' energy: -75.506
flat angles P-C4'-P energy: -32.412
tors. eta vs tors. theta energy: 12.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1874.693143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.693143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.693143 (E_RNA)
where:
Base-Base interactions energy: -1310.218
where: short stacking energy: -564.242
Base-Backbone interact. energy: -1.683
local terms energy: -562.791996
where:
bonds (distance) C4'-P energy: -104.718
bonds (distance) P-C4' energy: -112.539
flat angles C4'-P-C4' energy: -121.342
flat angles P-C4'-P energy: -64.785
tors. eta vs tors. theta energy: -159.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1751.936206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.936206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.936206 (E_RNA)
where:
Base-Base interactions energy: -1191.866
where: short stacking energy: -525.466
Base-Backbone interact. energy: -3.529
local terms energy: -556.542104
where:
bonds (distance) C4'-P energy: -97.135
bonds (distance) P-C4' energy: -110.434
flat angles C4'-P-C4' energy: -112.174
flat angles P-C4'-P energy: -81.346
tors. eta vs tors. theta energy: -155.453
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: 367
Temperature: 1.000000
Total energy: -1662.998469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.998469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.998469 (E_RNA)
where:
Base-Base interactions energy: -1128.727
where: short stacking energy: -521.252
Base-Backbone interact. energy: 0.786
local terms energy: -535.057729
where:
bonds (distance) C4'-P energy: -94.422
bonds (distance) P-C4' energy: -110.594
flat angles C4'-P-C4' energy: -114.598
flat angles P-C4'-P energy: -70.262
tors. eta vs tors. theta energy: -145.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1601.098623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.098623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.098623 (E_RNA)
where:
Base-Base interactions energy: -1088.628
where: short stacking energy: -477.653
Base-Backbone interact. energy: 0.494
local terms energy: -512.965007
where:
bonds (distance) C4'-P energy: -78.779
bonds (distance) P-C4' energy: -100.370
flat angles C4'-P-C4' energy: -112.426
flat angles P-C4'-P energy: -80.063
tors. eta vs tors. theta energy: -141.325
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: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1506.453504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.453504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.453504 (E_RNA)
where:
Base-Base interactions energy: -1024.844
where: short stacking energy: -451.670
Base-Backbone interact. energy: -1.689
local terms energy: -479.920498
where:
bonds (distance) C4'-P energy: -96.218
bonds (distance) P-C4' energy: -89.557
flat angles C4'-P-C4' energy: -118.341
flat angles P-C4'-P energy: -64.920
tors. eta vs tors. theta energy: -110.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1364.385909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.385909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.385909 (E_RNA)
where:
Base-Base interactions energy: -912.177
where: short stacking energy: -392.209
Base-Backbone interact. energy: -2.405
local terms energy: -449.804145
where:
bonds (distance) C4'-P energy: -95.070
bonds (distance) P-C4' energy: -101.491
flat angles C4'-P-C4' energy: -89.915
flat angles P-C4'-P energy: -60.592
tors. eta vs tors. theta energy: -102.736
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: 367
Temperature: 1.200000
Total energy: -1195.016699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.016699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.016699 (E_RNA)
where:
Base-Base interactions energy: -735.354
where: short stacking energy: -310.008
Base-Backbone interact. energy: 2.416
local terms energy: -462.078680
where:
bonds (distance) C4'-P energy: -102.722
bonds (distance) P-C4' energy: -99.641
flat angles C4'-P-C4' energy: -110.101
flat angles P-C4'-P energy: -71.669
tors. eta vs tors. theta energy: -77.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1051.067675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.067675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.067675 (E_RNA)
where:
Base-Base interactions energy: -684.703
where: short stacking energy: -307.061
Base-Backbone interact. energy: 5.406
local terms energy: -371.770423
where:
bonds (distance) C4'-P energy: -86.366
bonds (distance) P-C4' energy: -92.957
flat angles C4'-P-C4' energy: -94.722
flat angles P-C4'-P energy: -49.519
tors. eta vs tors. theta energy: -48.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -715.547172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.547172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.547172 (E_RNA)
where:
Base-Base interactions energy: -388.575
where: short stacking energy: -231.341
Base-Backbone interact. energy: 1.311
local terms energy: -328.283339
where:
bonds (distance) C4'-P energy: -72.596
bonds (distance) P-C4' energy: -94.898
flat angles C4'-P-C4' energy: -86.458
flat angles P-C4'-P energy: -47.373
tors. eta vs tors. theta energy: -26.958
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: 367
Temperature: 1.350000
Total energy: -424.862592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.862592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.862592 (E_RNA)
where:
Base-Base interactions energy: -133.380
where: short stacking energy: -107.054
Base-Backbone interact. energy: 1.282
local terms energy: -292.763720
where:
bonds (distance) C4'-P energy: -93.206
bonds (distance) P-C4' energy: -94.827
flat angles C4'-P-C4' energy: -63.422
flat angles P-C4'-P energy: -58.918
tors. eta vs tors. theta energy: 17.609
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: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1848.118536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.118536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.118536 (E_RNA)
where:
Base-Base interactions energy: -1293.954
where: short stacking energy: -523.493
Base-Backbone interact. energy: -1.881
local terms energy: -552.283430
where:
bonds (distance) C4'-P energy: -101.225
bonds (distance) P-C4' energy: -98.136
flat angles C4'-P-C4' energy: -122.596
flat angles P-C4'-P energy: -81.024
tors. eta vs tors. theta energy: -149.302
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: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1781.465841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.465841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.465841 (E_RNA)
where:
Base-Base interactions energy: -1217.756
where: short stacking energy: -523.004
Base-Backbone interact. energy: 1.200
local terms energy: -564.910379
where:
bonds (distance) C4'-P energy: -102.621
bonds (distance) P-C4' energy: -110.360
flat angles C4'-P-C4' energy: -115.009
flat angles P-C4'-P energy: -85.330
tors. eta vs tors. theta energy: -151.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1666.167115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.167115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.167115 (E_RNA)
where:
Base-Base interactions energy: -1129.156
where: short stacking energy: -506.995
Base-Backbone interact. energy: -2.301
local terms energy: -534.709836
where:
bonds (distance) C4'-P energy: -95.360
bonds (distance) P-C4' energy: -110.995
flat angles C4'-P-C4' energy: -106.851
flat angles P-C4'-P energy: -73.639
tors. eta vs tors. theta energy: -147.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1629.958740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.958740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.958740 (E_RNA)
where:
Base-Base interactions energy: -1117.826
where: short stacking energy: -463.332
Base-Backbone interact. energy: -5.357
local terms energy: -506.775978
where:
bonds (distance) C4'-P energy: -88.143
bonds (distance) P-C4' energy: -112.936
flat angles C4'-P-C4' energy: -118.364
flat angles P-C4'-P energy: -60.036
tors. eta vs tors. theta energy: -127.298
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: 6
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1506.358510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.358510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.358510 (E_RNA)
where:
Base-Base interactions energy: -998.634
where: short stacking energy: -432.353
Base-Backbone interact. energy: -2.560
local terms energy: -505.164164
where:
bonds (distance) C4'-P energy: -93.487
bonds (distance) P-C4' energy: -102.768
flat angles C4'-P-C4' energy: -105.324
flat angles P-C4'-P energy: -75.548
tors. eta vs tors. theta energy: -128.037
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: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1370.177887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.177887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.177887 (E_RNA)
where:
Base-Base interactions energy: -908.729
where: short stacking energy: -382.020
Base-Backbone interact. energy: 1.215
local terms energy: -462.663810
where:
bonds (distance) C4'-P energy: -105.385
bonds (distance) P-C4' energy: -100.688
flat angles C4'-P-C4' energy: -90.662
flat angles P-C4'-P energy: -66.275
tors. eta vs tors. theta energy: -99.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1230.627330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.627330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.627330 (E_RNA)
where:
Base-Base interactions energy: -813.262
where: short stacking energy: -372.627
Base-Backbone interact. energy: 0.015
local terms energy: -417.380783
where:
bonds (distance) C4'-P energy: -80.064
bonds (distance) P-C4' energy: -92.440
flat angles C4'-P-C4' energy: -90.077
flat angles P-C4'-P energy: -57.908
tors. eta vs tors. theta energy: -96.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1037.726264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.726264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.726264 (E_RNA)
where:
Base-Base interactions energy: -683.024
where: short stacking energy: -291.754
Base-Backbone interact. energy: 2.315
local terms energy: -357.017366
where:
bonds (distance) C4'-P energy: -82.369
bonds (distance) P-C4' energy: -76.978
flat angles C4'-P-C4' energy: -98.746
flat angles P-C4'-P energy: -61.054
tors. eta vs tors. theta energy: -37.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -685.465940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.465940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.465940 (E_RNA)
where:
Base-Base interactions energy: -372.517
where: short stacking energy: -196.150
Base-Backbone interact. energy: 1.884
local terms energy: -314.832384
where:
bonds (distance) C4'-P energy: -74.399
bonds (distance) P-C4' energy: -96.179
flat angles C4'-P-C4' energy: -83.165
flat angles P-C4'-P energy: -52.082
tors. eta vs tors. theta energy: -9.007
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: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -409.883179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.883179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.883179 (E_RNA)
where:
Base-Base interactions energy: -144.395
where: short stacking energy: -130.590
Base-Backbone interact. energy: 3.978
local terms energy: -269.466407
where:
bonds (distance) C4'-P energy: -66.973
bonds (distance) P-C4' energy: -89.765
flat angles C4'-P-C4' energy: -75.781
flat angles P-C4'-P energy: -51.822
tors. eta vs tors. theta energy: 14.874
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: 1, replica: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1857.674688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.674688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.674688 (E_RNA)
where:
Base-Base interactions energy: -1299.441
where: short stacking energy: -549.211
Base-Backbone interact. energy: -1.523
local terms energy: -556.710574
where:
bonds (distance) C4'-P energy: -102.430
bonds (distance) P-C4' energy: -95.646
flat angles C4'-P-C4' energy: -128.926
flat angles P-C4'-P energy: -77.676
tors. eta vs tors. theta energy: -152.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1767.243115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.243115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.243115 (E_RNA)
where:
Base-Base interactions energy: -1186.405
where: short stacking energy: -544.481
Base-Backbone interact. energy: 3.456
local terms energy: -584.293768
where:
bonds (distance) C4'-P energy: -108.505
bonds (distance) P-C4' energy: -114.853
flat angles C4'-P-C4' energy: -125.443
flat angles P-C4'-P energy: -76.552
tors. eta vs tors. theta energy: -158.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1699.890370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.890370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.890370 (E_RNA)
where:
Base-Base interactions energy: -1140.063
where: short stacking energy: -501.241
Base-Backbone interact. energy: -0.283
local terms energy: -559.544231
where:
bonds (distance) C4'-P energy: -111.299
bonds (distance) P-C4' energy: -107.261
flat angles C4'-P-C4' energy: -121.964
flat angles P-C4'-P energy: -74.017
tors. eta vs tors. theta energy: -145.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1612.148046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.148046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.148046 (E_RNA)
where:
Base-Base interactions energy: -1110.288
where: short stacking energy: -464.196
Base-Backbone interact. energy: -4.713
local terms energy: -497.147761
where:
bonds (distance) C4'-P energy: -80.812
bonds (distance) P-C4' energy: -109.202
flat angles C4'-P-C4' energy: -96.437
flat angles P-C4'-P energy: -80.515
tors. eta vs tors. theta energy: -130.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1535.885377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.885377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.885377 (E_RNA)
where:
Base-Base interactions energy: -1052.442
where: short stacking energy: -465.429
Base-Backbone interact. energy: 4.055
local terms energy: -487.498310
where:
bonds (distance) C4'-P energy: -93.155
bonds (distance) P-C4' energy: -98.757
flat angles C4'-P-C4' energy: -110.324
flat angles P-C4'-P energy: -55.850
tors. eta vs tors. theta energy: -129.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1420.973338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.973338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.973338 (E_RNA)
where:
Base-Base interactions energy: -955.415
where: short stacking energy: -425.876
Base-Backbone interact. energy: -1.645
local terms energy: -463.912736
where:
bonds (distance) C4'-P energy: -85.413
bonds (distance) P-C4' energy: -101.764
flat angles C4'-P-C4' energy: -110.366
flat angles P-C4'-P energy: -54.954
tors. eta vs tors. theta energy: -111.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1212.078730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.078730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.078730 (E_RNA)
where:
Base-Base interactions energy: -805.795
where: short stacking energy: -349.759
Base-Backbone interact. energy: -2.933
local terms energy: -403.351018
where:
bonds (distance) C4'-P energy: -84.419
bonds (distance) P-C4' energy: -97.236
flat angles C4'-P-C4' energy: -89.926
flat angles P-C4'-P energy: -50.271
tors. eta vs tors. theta energy: -81.498
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: 3
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1098.626274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.626274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.626274 (E_RNA)
where:
Base-Base interactions energy: -719.795
where: short stacking energy: -335.629
Base-Backbone interact. energy: 3.559
local terms energy: -382.390024
where:
bonds (distance) C4'-P energy: -87.495
bonds (distance) P-C4' energy: -96.902
flat angles C4'-P-C4' energy: -98.425
flat angles P-C4'-P energy: -37.383
tors. eta vs tors. theta energy: -62.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -674.898230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.898230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.898230 (E_RNA)
where:
Base-Base interactions energy: -351.046
where: short stacking energy: -195.752
Base-Backbone interact. energy: -0.092
local terms energy: -323.760324
where:
bonds (distance) C4'-P energy: -89.929
bonds (distance) P-C4' energy: -104.275
flat angles C4'-P-C4' energy: -76.795
flat angles P-C4'-P energy: -37.947
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -429.486212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.486212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.486212 (E_RNA)
where:
Base-Base interactions energy: -152.406
where: short stacking energy: -129.973
Base-Backbone interact. energy: -3.770
local terms energy: -273.310607
where:
bonds (distance) C4'-P energy: -75.538
bonds (distance) P-C4' energy: -78.827
flat angles C4'-P-C4' energy: -74.093
flat angles P-C4'-P energy: -57.491
tors. eta vs tors. theta energy: 12.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1847.663911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.663911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.663911 (E_RNA)
where:
Base-Base interactions energy: -1287.672
where: short stacking energy: -535.180
Base-Backbone interact. energy: -6.453
local terms energy: -553.539475
where:
bonds (distance) C4'-P energy: -96.598
bonds (distance) P-C4' energy: -109.062
flat angles C4'-P-C4' energy: -117.689
flat angles P-C4'-P energy: -86.982
tors. eta vs tors. theta energy: -143.210
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: 370
Temperature: 0.950000
Total energy: -1785.512117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.512117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.512117 (E_RNA)
where:
Base-Base interactions energy: -1213.107
where: short stacking energy: -536.940
Base-Backbone interact. energy: -2.011
local terms energy: -570.394239
where:
bonds (distance) C4'-P energy: -104.179
bonds (distance) P-C4' energy: -105.955
flat angles C4'-P-C4' energy: -123.212
flat angles P-C4'-P energy: -80.518
tors. eta vs tors. theta energy: -156.531
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: 5
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1711.211081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.211081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.211081 (E_RNA)
where:
Base-Base interactions energy: -1159.330
where: short stacking energy: -525.559
Base-Backbone interact. energy: -3.073
local terms energy: -548.808117
where:
bonds (distance) C4'-P energy: -96.450
bonds (distance) P-C4' energy: -113.309
flat angles C4'-P-C4' energy: -107.310
flat angles P-C4'-P energy: -82.079
tors. eta vs tors. theta energy: -149.659
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: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1599.189728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.189728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.189728 (E_RNA)
where:
Base-Base interactions energy: -1104.264
where: short stacking energy: -473.938
Base-Backbone interact. energy: -3.528
local terms energy: -491.396954
where:
bonds (distance) C4'-P energy: -92.785
bonds (distance) P-C4' energy: -101.930
flat angles C4'-P-C4' energy: -93.683
flat angles P-C4'-P energy: -70.693
tors. eta vs tors. theta energy: -132.306
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: 5, replica: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1539.467051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.467051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.467051 (E_RNA)
where:
Base-Base interactions energy: -1040.691
where: short stacking energy: -453.069
Base-Backbone interact. energy: -3.633
local terms energy: -495.143404
where:
bonds (distance) C4'-P energy: -95.842
bonds (distance) P-C4' energy: -94.293
flat angles C4'-P-C4' energy: -109.745
flat angles P-C4'-P energy: -74.779
tors. eta vs tors. theta energy: -120.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1373.541378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.541378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.541378 (E_RNA)
where:
Base-Base interactions energy: -904.522
where: short stacking energy: -392.111
Base-Backbone interact. energy: -0.590
local terms energy: -468.428897
where:
bonds (distance) C4'-P energy: -93.313
bonds (distance) P-C4' energy: -98.133
flat angles C4'-P-C4' energy: -106.933
flat angles P-C4'-P energy: -62.139
tors. eta vs tors. theta energy: -107.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1213.977244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.977244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.977244 (E_RNA)
where:
Base-Base interactions energy: -801.469
where: short stacking energy: -352.582
Base-Backbone interact. energy: -3.940
local terms energy: -408.568458
where:
bonds (distance) C4'-P energy: -90.055
bonds (distance) P-C4' energy: -85.010
flat angles C4'-P-C4' energy: -84.577
flat angles P-C4'-P energy: -63.663
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: 8, replica: 3
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1064.998569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.998569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.998569 (E_RNA)
where:
Base-Base interactions energy: -664.232
where: short stacking energy: -303.794
Base-Backbone interact. energy: 0.044
local terms energy: -400.810640
where:
bonds (distance) C4'-P energy: -84.983
bonds (distance) P-C4' energy: -110.095
flat angles C4'-P-C4' energy: -93.594
flat angles P-C4'-P energy: -58.234
tors. eta vs tors. theta energy: -53.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -682.038471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.038471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.038471 (E_RNA)
where:
Base-Base interactions energy: -363.210
where: short stacking energy: -207.336
Base-Backbone interact. energy: 1.710
local terms energy: -320.538374
where:
bonds (distance) C4'-P energy: -91.002
bonds (distance) P-C4' energy: -87.905
flat angles C4'-P-C4' energy: -84.192
flat angles P-C4'-P energy: -49.627
tors. eta vs tors. theta energy: -7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -452.173937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.173937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.173937 (E_RNA)
where:
Base-Base interactions energy: -150.965
where: short stacking energy: -119.037
Base-Backbone interact. energy: -0.503
local terms energy: -300.705405
where:
bonds (distance) C4'-P energy: -103.605
bonds (distance) P-C4' energy: -84.994
flat angles C4'-P-C4' energy: -67.734
flat angles P-C4'-P energy: -66.415
tors. eta vs tors. theta energy: 22.042
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: 7
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1881.633260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.633260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.633260 (E_RNA)
where:
Base-Base interactions energy: -1297.775
where: short stacking energy: -551.792
Base-Backbone interact. energy: -3.446
local terms energy: -580.412292
where:
bonds (distance) C4'-P energy: -115.139
bonds (distance) P-C4' energy: -108.783
flat angles C4'-P-C4' energy: -114.691
flat angles P-C4'-P energy: -83.433
tors. eta vs tors. theta energy: -158.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1783.628039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.628039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.628039 (E_RNA)
where:
Base-Base interactions energy: -1212.646
where: short stacking energy: -539.484
Base-Backbone interact. energy: 0.911
local terms energy: -571.892449
where:
bonds (distance) C4'-P energy: -96.937
bonds (distance) P-C4' energy: -118.069
flat angles C4'-P-C4' energy: -128.604
flat angles P-C4'-P energy: -74.766
tors. eta vs tors. theta energy: -153.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1659.829226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.829226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.829226 (E_RNA)
where:
Base-Base interactions energy: -1129.174
where: short stacking energy: -505.996
Base-Backbone interact. energy: -0.924
local terms energy: -529.731331
where:
bonds (distance) C4'-P energy: -95.236
bonds (distance) P-C4' energy: -101.300
flat angles C4'-P-C4' energy: -117.712
flat angles P-C4'-P energy: -73.636
tors. eta vs tors. theta energy: -141.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1618.232493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.232493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.232493 (E_RNA)
where:
Base-Base interactions energy: -1098.662
where: short stacking energy: -471.717
Base-Backbone interact. energy: -1.560
local terms energy: -518.011256
where:
bonds (distance) C4'-P energy: -103.322
bonds (distance) P-C4' energy: -101.458
flat angles C4'-P-C4' energy: -110.257
flat angles P-C4'-P energy: -72.678
tors. eta vs tors. theta energy: -130.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1517.062224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.062224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.062224 (E_RNA)
where:
Base-Base interactions energy: -1019.792
where: short stacking energy: -468.448
Base-Backbone interact. energy: -2.883
local terms energy: -494.387166
where:
bonds (distance) C4'-P energy: -97.463
bonds (distance) P-C4' energy: -115.242
flat angles C4'-P-C4' energy: -97.846
flat angles P-C4'-P energy: -59.598
tors. eta vs tors. theta energy: -124.238
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: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1395.102440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.102440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.102440 (E_RNA)
where:
Base-Base interactions energy: -923.666
where: short stacking energy: -413.892
Base-Backbone interact. energy: -1.096
local terms energy: -470.340813
where:
bonds (distance) C4'-P energy: -85.483
bonds (distance) P-C4' energy: -99.169
flat angles C4'-P-C4' energy: -109.051
flat angles P-C4'-P energy: -74.488
tors. eta vs tors. theta energy: -102.149
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: 4
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1264.928532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.928532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.928532 (E_RNA)
where:
Base-Base interactions energy: -818.001
where: short stacking energy: -363.196
Base-Backbone interact. energy: 3.667
local terms energy: -450.594761
where:
bonds (distance) C4'-P energy: -100.315
bonds (distance) P-C4' energy: -103.324
flat angles C4'-P-C4' energy: -100.988
flat angles P-C4'-P energy: -59.349
tors. eta vs tors. theta energy: -86.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -979.166229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.166229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.166229 (E_RNA)
where:
Base-Base interactions energy: -652.665
where: short stacking energy: -290.025
Base-Backbone interact. energy: -1.366
local terms energy: -325.135929
where:
bonds (distance) C4'-P energy: -76.428
bonds (distance) P-C4' energy: -85.571
flat angles C4'-P-C4' energy: -84.294
flat angles P-C4'-P energy: -32.927
tors. eta vs tors. theta energy: -45.915
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: 8
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -696.185140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.185140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.185140 (E_RNA)
where:
Base-Base interactions energy: -374.273
where: short stacking energy: -211.236
Base-Backbone interact. energy: 1.667
local terms energy: -323.579692
where:
bonds (distance) C4'-P energy: -71.684
bonds (distance) P-C4' energy: -94.062
flat angles C4'-P-C4' energy: -82.866
flat angles P-C4'-P energy: -54.657
tors. eta vs tors. theta energy: -20.311
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: 371
Temperature: 1.350000
Total energy: -415.766068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.766068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.766068 (E_RNA)
where:
Base-Base interactions energy: -148.915
where: short stacking energy: -120.652
Base-Backbone interact. energy: -2.314
local terms energy: -264.536377
where:
bonds (distance) C4'-P energy: -83.428
bonds (distance) P-C4' energy: -102.140
flat angles C4'-P-C4' energy: -69.600
flat angles P-C4'-P energy: -35.423
tors. eta vs tors. theta energy: 26.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1883.414827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.414827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.414827 (E_RNA)
where:
Base-Base interactions energy: -1307.096
where: short stacking energy: -552.595
Base-Backbone interact. energy: -3.442
local terms energy: -572.877341
where:
bonds (distance) C4'-P energy: -110.097
bonds (distance) P-C4' energy: -106.980
flat angles C4'-P-C4' energy: -121.529
flat angles P-C4'-P energy: -74.400
tors. eta vs tors. theta energy: -159.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1780.335663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.335663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.335663 (E_RNA)
where:
Base-Base interactions energy: -1201.420
where: short stacking energy: -557.849
Base-Backbone interact. energy: -1.023
local terms energy: -577.893222
where:
bonds (distance) C4'-P energy: -97.517
bonds (distance) P-C4' energy: -119.339
flat angles C4'-P-C4' energy: -114.821
flat angles P-C4'-P energy: -82.754
tors. eta vs tors. theta energy: -163.463
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: 372
Temperature: 1.000000
Total energy: -1650.588341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.588341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.588341 (E_RNA)
where:
Base-Base interactions energy: -1098.153
where: short stacking energy: -487.943
Base-Backbone interact. energy: -0.503
local terms energy: -551.932601
where:
bonds (distance) C4'-P energy: -100.712
bonds (distance) P-C4' energy: -110.709
flat angles C4'-P-C4' energy: -123.174
flat angles P-C4'-P energy: -73.932
tors. eta vs tors. theta energy: -143.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1608.028142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.028142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.028142 (E_RNA)
where:
Base-Base interactions energy: -1105.156
where: short stacking energy: -461.582
Base-Backbone interact. energy: -3.271
local terms energy: -499.601252
where:
bonds (distance) C4'-P energy: -101.644
bonds (distance) P-C4' energy: -100.123
flat angles C4'-P-C4' energy: -115.546
flat angles P-C4'-P energy: -61.359
tors. eta vs tors. theta energy: -120.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1505.600082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.600082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.600082 (E_RNA)
where:
Base-Base interactions energy: -1017.371
where: short stacking energy: -453.824
Base-Backbone interact. energy: -2.236
local terms energy: -485.993053
where:
bonds (distance) C4'-P energy: -81.897
bonds (distance) P-C4' energy: -102.123
flat angles C4'-P-C4' energy: -109.658
flat angles P-C4'-P energy: -72.303
tors. eta vs tors. theta energy: -120.012
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: 372
Temperature: 1.150000
Total energy: -1434.070684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.070684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.070684 (E_RNA)
where:
Base-Base interactions energy: -938.363
where: short stacking energy: -386.569
Base-Backbone interact. energy: -3.843
local terms energy: -491.865321
where:
bonds (distance) C4'-P energy: -103.190
bonds (distance) P-C4' energy: -113.378
flat angles C4'-P-C4' energy: -101.614
flat angles P-C4'-P energy: -61.063
tors. eta vs tors. theta energy: -112.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1252.846296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.846296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.846296 (E_RNA)
where:
Base-Base interactions energy: -833.149
where: short stacking energy: -365.459
Base-Backbone interact. energy: -4.302
local terms energy: -415.394561
where:
bonds (distance) C4'-P energy: -89.286
bonds (distance) P-C4' energy: -97.962
flat angles C4'-P-C4' energy: -81.583
flat angles P-C4'-P energy: -64.141
tors. eta vs tors. theta energy: -82.423
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: 3
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1057.874825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.874825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.874825 (E_RNA)
where:
Base-Base interactions energy: -660.638
where: short stacking energy: -288.319
Base-Backbone interact. energy: -2.969
local terms energy: -394.268126
where:
bonds (distance) C4'-P energy: -87.160
bonds (distance) P-C4' energy: -86.611
flat angles C4'-P-C4' energy: -96.675
flat angles P-C4'-P energy: -65.649
tors. eta vs tors. theta energy: -58.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -710.764209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.764209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.764209 (E_RNA)
where:
Base-Base interactions energy: -397.400
where: short stacking energy: -203.900
Base-Backbone interact. energy: 0.971
local terms energy: -314.335658
where:
bonds (distance) C4'-P energy: -81.918
bonds (distance) P-C4' energy: -90.885
flat angles C4'-P-C4' energy: -80.708
flat angles P-C4'-P energy: -44.032
tors. eta vs tors. theta energy: -16.792
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: 372
Temperature: 1.350000
Total energy: -429.265598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.265598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.265598 (E_RNA)
where:
Base-Base interactions energy: -135.603
where: short stacking energy: -125.909
Base-Backbone interact. energy: 2.476
local terms energy: -296.138102
where:
bonds (distance) C4'-P energy: -87.607
bonds (distance) P-C4' energy: -92.485
flat angles C4'-P-C4' energy: -82.734
flat angles P-C4'-P energy: -47.942
tors. eta vs tors. theta energy: 14.629
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: 7
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1869.387130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.387130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.387130 (E_RNA)
where:
Base-Base interactions energy: -1303.562
where: short stacking energy: -534.319
Base-Backbone interact. energy: 0.161
local terms energy: -565.986524
where:
bonds (distance) C4'-P energy: -104.413
bonds (distance) P-C4' energy: -107.295
flat angles C4'-P-C4' energy: -117.341
flat angles P-C4'-P energy: -85.411
tors. eta vs tors. theta energy: -151.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1805.065410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.065410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.065410 (E_RNA)
where:
Base-Base interactions energy: -1210.876
where: short stacking energy: -545.990
Base-Backbone interact. energy: -3.144
local terms energy: -591.045805
where:
bonds (distance) C4'-P energy: -95.356
bonds (distance) P-C4' energy: -118.950
flat angles C4'-P-C4' energy: -116.976
flat angles P-C4'-P energy: -88.466
tors. eta vs tors. theta energy: -171.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1667.106387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.106387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.106387 (E_RNA)
where:
Base-Base interactions energy: -1147.333
where: short stacking energy: -515.848
Base-Backbone interact. energy: -0.068
local terms energy: -519.705951
where:
bonds (distance) C4'-P energy: -100.396
bonds (distance) P-C4' energy: -80.591
flat angles C4'-P-C4' energy: -115.568
flat angles P-C4'-P energy: -80.981
tors. eta vs tors. theta energy: -142.171
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: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1618.855285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.855285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.855285 (E_RNA)
where:
Base-Base interactions energy: -1095.708
where: short stacking energy: -470.664
Base-Backbone interact. energy: -4.639
local terms energy: -518.507847
where:
bonds (distance) C4'-P energy: -100.493
bonds (distance) P-C4' energy: -100.971
flat angles C4'-P-C4' energy: -113.481
flat angles P-C4'-P energy: -79.061
tors. eta vs tors. theta energy: -124.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1494.887956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.887956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.887956 (E_RNA)
where:
Base-Base interactions energy: -996.116
where: short stacking energy: -423.114
Base-Backbone interact. energy: -0.905
local terms energy: -497.867031
where:
bonds (distance) C4'-P energy: -92.641
bonds (distance) P-C4' energy: -118.024
flat angles C4'-P-C4' energy: -106.158
flat angles P-C4'-P energy: -68.790
tors. eta vs tors. theta energy: -112.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1452.100385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.100385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.100385 (E_RNA)
where:
Base-Base interactions energy: -957.483
where: short stacking energy: -449.672
Base-Backbone interact. energy: -2.100
local terms energy: -492.517025
where:
bonds (distance) C4'-P energy: -104.429
bonds (distance) P-C4' energy: -99.471
flat angles C4'-P-C4' energy: -94.223
flat angles P-C4'-P energy: -66.111
tors. eta vs tors. theta energy: -128.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1319.339370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.339370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.339370 (E_RNA)
where:
Base-Base interactions energy: -880.985
where: short stacking energy: -377.759
Base-Backbone interact. energy: -3.715
local terms energy: -434.639785
where:
bonds (distance) C4'-P energy: -87.087
bonds (distance) P-C4' energy: -94.917
flat angles C4'-P-C4' energy: -89.317
flat angles P-C4'-P energy: -59.001
tors. eta vs tors. theta energy: -104.318
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: 3
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1087.520437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.520437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.520437 (E_RNA)
where:
Base-Base interactions energy: -678.062
where: short stacking energy: -298.400
Base-Backbone interact. energy: 3.454
local terms energy: -412.912003
where:
bonds (distance) C4'-P energy: -100.248
bonds (distance) P-C4' energy: -88.227
flat angles C4'-P-C4' energy: -93.811
flat angles P-C4'-P energy: -70.675
tors. eta vs tors. theta energy: -59.952
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: 8
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -695.512298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.512298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.512298 (E_RNA)
where:
Base-Base interactions energy: -375.108
where: short stacking energy: -171.699
Base-Backbone interact. energy: -0.982
local terms energy: -319.422754
where:
bonds (distance) C4'-P energy: -97.352
bonds (distance) P-C4' energy: -80.719
flat angles C4'-P-C4' energy: -85.163
flat angles P-C4'-P energy: -45.189
tors. eta vs tors. theta energy: -11.000
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: 373
Temperature: 1.350000
Total energy: -435.160598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.160598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.160598 (E_RNA)
where:
Base-Base interactions energy: -147.999
where: short stacking energy: -110.014
Base-Backbone interact. energy: -3.352
local terms energy: -283.809756
where:
bonds (distance) C4'-P energy: -104.082
bonds (distance) P-C4' energy: -91.745
flat angles C4'-P-C4' energy: -82.770
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: 14.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1871.648198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.648198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.648198 (E_RNA)
where:
Base-Base interactions energy: -1286.139
where: short stacking energy: -525.685
Base-Backbone interact. energy: -2.109
local terms energy: -583.399483
where:
bonds (distance) C4'-P energy: -105.955
bonds (distance) P-C4' energy: -107.200
flat angles C4'-P-C4' energy: -120.310
flat angles P-C4'-P energy: -92.022
tors. eta vs tors. theta energy: -157.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1812.411888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.411888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.411888 (E_RNA)
where:
Base-Base interactions energy: -1229.310
where: short stacking energy: -553.602
Base-Backbone interact. energy: 0.026
local terms energy: -583.127652
where:
bonds (distance) C4'-P energy: -106.252
bonds (distance) P-C4' energy: -102.797
flat angles C4'-P-C4' energy: -116.322
flat angles P-C4'-P energy: -86.351
tors. eta vs tors. theta energy: -171.406
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: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1664.731815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.731815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.731815 (E_RNA)
where:
Base-Base interactions energy: -1132.557
where: short stacking energy: -481.074
Base-Backbone interact. energy: -1.273
local terms energy: -530.902023
where:
bonds (distance) C4'-P energy: -106.046
bonds (distance) P-C4' energy: -107.269
flat angles C4'-P-C4' energy: -114.886
flat angles P-C4'-P energy: -68.578
tors. eta vs tors. theta energy: -134.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1599.626203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.626203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.626203 (E_RNA)
where:
Base-Base interactions energy: -1072.801
where: short stacking energy: -475.634
Base-Backbone interact. energy: -1.310
local terms energy: -525.515713
where:
bonds (distance) C4'-P energy: -107.295
bonds (distance) P-C4' energy: -100.081
flat angles C4'-P-C4' energy: -108.105
flat angles P-C4'-P energy: -81.387
tors. eta vs tors. theta energy: -128.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1497.018314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.018314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.018314 (E_RNA)
where:
Base-Base interactions energy: -1037.515
where: short stacking energy: -437.457
Base-Backbone interact. energy: -2.512
local terms energy: -456.991457
where:
bonds (distance) C4'-P energy: -95.448
bonds (distance) P-C4' energy: -83.342
flat angles C4'-P-C4' energy: -108.914
flat angles P-C4'-P energy: -59.349
tors. eta vs tors. theta energy: -109.939
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: 9
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1422.199757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.199757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.199757 (E_RNA)
where:
Base-Base interactions energy: -958.439
where: short stacking energy: -433.457
Base-Backbone interact. energy: 1.631
local terms energy: -465.391366
where:
bonds (distance) C4'-P energy: -76.410
bonds (distance) P-C4' energy: -89.398
flat angles C4'-P-C4' energy: -99.667
flat angles P-C4'-P energy: -76.319
tors. eta vs tors. theta energy: -123.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1327.884470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.884470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.884470 (E_RNA)
where:
Base-Base interactions energy: -897.901
where: short stacking energy: -395.736
Base-Backbone interact. energy: -0.410
local terms energy: -429.572989
where:
bonds (distance) C4'-P energy: -96.396
bonds (distance) P-C4' energy: -84.168
flat angles C4'-P-C4' energy: -89.559
flat angles P-C4'-P energy: -67.322
tors. eta vs tors. theta energy: -92.128
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: 3
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1080.513995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.513995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.513995 (E_RNA)
where:
Base-Base interactions energy: -705.438
where: short stacking energy: -316.940
Base-Backbone interact. energy: 3.501
local terms energy: -378.576834
where:
bonds (distance) C4'-P energy: -92.337
bonds (distance) P-C4' energy: -90.281
flat angles C4'-P-C4' energy: -78.159
flat angles P-C4'-P energy: -61.776
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: 9, replica: 8
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -740.293602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.293602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.293602 (E_RNA)
where:
Base-Base interactions energy: -452.381
where: short stacking energy: -259.721
Base-Backbone interact. energy: 1.161
local terms energy: -289.073027
where:
bonds (distance) C4'-P energy: -57.086
bonds (distance) P-C4' energy: -69.966
flat angles C4'-P-C4' energy: -76.528
flat angles P-C4'-P energy: -48.466
tors. eta vs tors. theta energy: -37.027
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: 374
Temperature: 1.350000
Total energy: -422.990066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.990066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.990066 (E_RNA)
where:
Base-Base interactions energy: -120.795
where: short stacking energy: -101.164
Base-Backbone interact. energy: 7.666
local terms energy: -309.861495
where:
bonds (distance) C4'-P energy: -84.495
bonds (distance) P-C4' energy: -106.353
flat angles C4'-P-C4' energy: -78.916
flat angles P-C4'-P energy: -58.461
tors. eta vs tors. theta energy: 18.364
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: 7
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1872.531023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.531023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.531023 (E_RNA)
where:
Base-Base interactions energy: -1301.522
where: short stacking energy: -535.990
Base-Backbone interact. energy: -0.554
local terms energy: -570.454954
where:
bonds (distance) C4'-P energy: -103.080
bonds (distance) P-C4' energy: -108.892
flat angles C4'-P-C4' energy: -124.630
flat angles P-C4'-P energy: -81.934
tors. eta vs tors. theta energy: -151.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1818.600559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.600559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.600559 (E_RNA)
where:
Base-Base interactions energy: -1250.634
where: short stacking energy: -578.389
Base-Backbone interact. energy: -2.411
local terms energy: -565.555476
where:
bonds (distance) C4'-P energy: -97.228
bonds (distance) P-C4' energy: -95.940
flat angles C4'-P-C4' energy: -112.313
flat angles P-C4'-P energy: -91.266
tors. eta vs tors. theta energy: -168.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1660.623728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.623728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.623728 (E_RNA)
where:
Base-Base interactions energy: -1135.590
where: short stacking energy: -532.554
Base-Backbone interact. energy: -0.695
local terms energy: -524.339027
where:
bonds (distance) C4'-P energy: -92.866
bonds (distance) P-C4' energy: -94.605
flat angles C4'-P-C4' energy: -110.727
flat angles P-C4'-P energy: -79.328
tors. eta vs tors. theta energy: -146.813
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: 4, replica: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1589.665690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.665690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.665690 (E_RNA)
where:
Base-Base interactions energy: -1094.714
where: short stacking energy: -453.483
Base-Backbone interact. energy: 4.535
local terms energy: -499.486306
where:
bonds (distance) C4'-P energy: -92.140
bonds (distance) P-C4' energy: -106.060
flat angles C4'-P-C4' energy: -110.081
flat angles P-C4'-P energy: -70.064
tors. eta vs tors. theta energy: -121.141
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: 5, replica: 6
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1520.676885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.676885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.676885 (E_RNA)
where:
Base-Base interactions energy: -1024.198
where: short stacking energy: -437.024
Base-Backbone interact. energy: -4.187
local terms energy: -492.292072
where:
bonds (distance) C4'-P energy: -90.021
bonds (distance) P-C4' energy: -104.338
flat angles C4'-P-C4' energy: -109.073
flat angles P-C4'-P energy: -64.022
tors. eta vs tors. theta energy: -124.838
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: 375
Temperature: 1.150000
Total energy: -1383.540208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.540208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.540208 (E_RNA)
where:
Base-Base interactions energy: -917.123
where: short stacking energy: -398.932
Base-Backbone interact. energy: -3.421
local terms energy: -462.995813
where:
bonds (distance) C4'-P energy: -97.187
bonds (distance) P-C4' energy: -109.584
flat angles C4'-P-C4' energy: -100.673
flat angles P-C4'-P energy: -60.806
tors. eta vs tors. theta energy: -94.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1387.207810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.207810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.207810 (E_RNA)
where:
Base-Base interactions energy: -925.127
where: short stacking energy: -383.022
Base-Backbone interact. energy: -0.157
local terms energy: -461.923625
where:
bonds (distance) C4'-P energy: -86.068
bonds (distance) P-C4' energy: -89.117
flat angles C4'-P-C4' energy: -108.560
flat angles P-C4'-P energy: -66.241
tors. eta vs tors. theta energy: -111.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1027.246736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.246736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.246736 (E_RNA)
where:
Base-Base interactions energy: -667.313
where: short stacking energy: -287.148
Base-Backbone interact. energy: 3.819
local terms energy: -363.751874
where:
bonds (distance) C4'-P energy: -91.643
bonds (distance) P-C4' energy: -82.453
flat angles C4'-P-C4' energy: -99.884
flat angles P-C4'-P energy: -54.095
tors. eta vs tors. theta energy: -35.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -681.683643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.683643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.683643 (E_RNA)
where:
Base-Base interactions energy: -378.278
where: short stacking energy: -186.912
Base-Backbone interact. energy: 3.693
local terms energy: -307.099072
where:
bonds (distance) C4'-P energy: -73.398
bonds (distance) P-C4' energy: -107.416
flat angles C4'-P-C4' energy: -74.445
flat angles P-C4'-P energy: -46.139
tors. eta vs tors. theta energy: -5.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -420.251501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.251501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.251501 (E_RNA)
where:
Base-Base interactions energy: -150.104
where: short stacking energy: -111.689
Base-Backbone interact. energy: -2.058
local terms energy: -268.089333
where:
bonds (distance) C4'-P energy: -70.047
bonds (distance) P-C4' energy: -98.073
flat angles C4'-P-C4' energy: -88.962
flat angles P-C4'-P energy: -40.761
tors. eta vs tors. theta energy: 29.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1874.326452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.326452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.326452 (E_RNA)
where:
Base-Base interactions energy: -1276.924
where: short stacking energy: -540.949
Base-Backbone interact. energy: -2.231
local terms energy: -595.171045
where:
bonds (distance) C4'-P energy: -116.027
bonds (distance) P-C4' energy: -108.912
flat angles C4'-P-C4' energy: -133.351
flat angles P-C4'-P energy: -89.171
tors. eta vs tors. theta energy: -147.710
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: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1791.228825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.228825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.228825 (E_RNA)
where:
Base-Base interactions energy: -1210.346
where: short stacking energy: -542.996
Base-Backbone interact. energy: -2.046
local terms energy: -578.836901
where:
bonds (distance) C4'-P energy: -105.295
bonds (distance) P-C4' energy: -107.248
flat angles C4'-P-C4' energy: -127.299
flat angles P-C4'-P energy: -81.993
tors. eta vs tors. theta energy: -157.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1676.629610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.629610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.629610 (E_RNA)
where:
Base-Base interactions energy: -1143.936
where: short stacking energy: -513.596
Base-Backbone interact. energy: -0.602
local terms energy: -532.091923
where:
bonds (distance) C4'-P energy: -94.589
bonds (distance) P-C4' energy: -99.944
flat angles C4'-P-C4' energy: -123.890
flat angles P-C4'-P energy: -72.136
tors. eta vs tors. theta energy: -141.534
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: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1576.387321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.387321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.387321 (E_RNA)
where:
Base-Base interactions energy: -1061.562
where: short stacking energy: -457.270
Base-Backbone interact. energy: -4.515
local terms energy: -510.310522
where:
bonds (distance) C4'-P energy: -99.173
bonds (distance) P-C4' energy: -109.238
flat angles C4'-P-C4' energy: -112.381
flat angles P-C4'-P energy: -69.833
tors. eta vs tors. theta energy: -119.686
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: 6
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1532.231673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.231673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.231673 (E_RNA)
where:
Base-Base interactions energy: -1032.491
where: short stacking energy: -431.038
Base-Backbone interact. energy: -3.167
local terms energy: -496.573067
where:
bonds (distance) C4'-P energy: -109.172
bonds (distance) P-C4' energy: -101.394
flat angles C4'-P-C4' energy: -103.337
flat angles P-C4'-P energy: -62.209
tors. eta vs tors. theta energy: -120.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1366.130165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.130165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.130165 (E_RNA)
where:
Base-Base interactions energy: -896.012
where: short stacking energy: -397.634
Base-Backbone interact. energy: -1.371
local terms energy: -468.746657
where:
bonds (distance) C4'-P energy: -100.334
bonds (distance) P-C4' energy: -99.933
flat angles C4'-P-C4' energy: -101.326
flat angles P-C4'-P energy: -66.732
tors. eta vs tors. theta energy: -100.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1356.956879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.956879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.956879 (E_RNA)
where:
Base-Base interactions energy: -911.899
where: short stacking energy: -405.496
Base-Backbone interact. energy: 3.182
local terms energy: -448.239986
where:
bonds (distance) C4'-P energy: -89.171
bonds (distance) P-C4' energy: -81.698
flat angles C4'-P-C4' energy: -93.131
flat angles P-C4'-P energy: -79.599
tors. eta vs tors. theta energy: -104.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1003.760644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.760644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.760644 (E_RNA)
where:
Base-Base interactions energy: -613.199
where: short stacking energy: -284.553
Base-Backbone interact. energy: 0.255
local terms energy: -390.816538
where:
bonds (distance) C4'-P energy: -102.412
bonds (distance) P-C4' energy: -99.123
flat angles C4'-P-C4' energy: -88.974
flat angles P-C4'-P energy: -54.476
tors. eta vs tors. theta energy: -45.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -682.035903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.035903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.035903 (E_RNA)
where:
Base-Base interactions energy: -349.350
where: short stacking energy: -180.471
Base-Backbone interact. energy: -1.746
local terms energy: -330.940238
where:
bonds (distance) C4'-P energy: -84.188
bonds (distance) P-C4' energy: -90.567
flat angles C4'-P-C4' energy: -92.659
flat angles P-C4'-P energy: -38.117
tors. eta vs tors. theta energy: -25.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -448.880116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.880116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.880116 (E_RNA)
where:
Base-Base interactions energy: -161.684
where: short stacking energy: -147.821
Base-Backbone interact. energy: 0.380
local terms energy: -287.575627
where:
bonds (distance) C4'-P energy: -86.397
bonds (distance) P-C4' energy: -101.757
flat angles C4'-P-C4' energy: -76.293
flat angles P-C4'-P energy: -34.878
tors. eta vs tors. theta energy: 11.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1844.474935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.474935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.474935 (E_RNA)
where:
Base-Base interactions energy: -1273.958
where: short stacking energy: -524.355
Base-Backbone interact. energy: 0.391
local terms energy: -570.908780
where:
bonds (distance) C4'-P energy: -108.499
bonds (distance) P-C4' energy: -108.827
flat angles C4'-P-C4' energy: -124.168
flat angles P-C4'-P energy: -78.445
tors. eta vs tors. theta energy: -150.970
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: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1764.136456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.136456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.136456 (E_RNA)
where:
Base-Base interactions energy: -1202.079
where: short stacking energy: -544.571
Base-Backbone interact. energy: -0.926
local terms energy: -561.131876
where:
bonds (distance) C4'-P energy: -101.755
bonds (distance) P-C4' energy: -103.722
flat angles C4'-P-C4' energy: -119.439
flat angles P-C4'-P energy: -81.443
tors. eta vs tors. theta energy: -154.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1697.814879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.814879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.814879 (E_RNA)
where:
Base-Base interactions energy: -1134.266
where: short stacking energy: -530.319
Base-Backbone interact. energy: -1.324
local terms energy: -562.224870
where:
bonds (distance) C4'-P energy: -106.026
bonds (distance) P-C4' energy: -98.320
flat angles C4'-P-C4' energy: -114.722
flat angles P-C4'-P energy: -79.008
tors. eta vs tors. theta energy: -164.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1570.034131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.034131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.034131 (E_RNA)
where:
Base-Base interactions energy: -1088.975
where: short stacking energy: -448.101
Base-Backbone interact. energy: 1.374
local terms energy: -482.433315
where:
bonds (distance) C4'-P energy: -94.842
bonds (distance) P-C4' energy: -93.495
flat angles C4'-P-C4' energy: -107.888
flat angles P-C4'-P energy: -67.440
tors. eta vs tors. theta energy: -118.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1542.305860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.305860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.305860 (E_RNA)
where:
Base-Base interactions energy: -1061.300
where: short stacking energy: -446.772
Base-Backbone interact. energy: 0.950
local terms energy: -481.955947
where:
bonds (distance) C4'-P energy: -95.431
bonds (distance) P-C4' energy: -92.985
flat angles C4'-P-C4' energy: -97.458
flat angles P-C4'-P energy: -77.271
tors. eta vs tors. theta energy: -118.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1407.769710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.769710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.769710 (E_RNA)
where:
Base-Base interactions energy: -945.211
where: short stacking energy: -414.718
Base-Backbone interact. energy: -0.982
local terms energy: -461.577239
where:
bonds (distance) C4'-P energy: -82.606
bonds (distance) P-C4' energy: -90.805
flat angles C4'-P-C4' energy: -101.853
flat angles P-C4'-P energy: -77.634
tors. eta vs tors. theta energy: -108.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1334.534863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.534863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.534863 (E_RNA)
where:
Base-Base interactions energy: -891.307
where: short stacking energy: -383.568
Base-Backbone interact. energy: -2.150
local terms energy: -441.077774
where:
bonds (distance) C4'-P energy: -104.908
bonds (distance) P-C4' energy: -91.266
flat angles C4'-P-C4' energy: -86.073
flat angles P-C4'-P energy: -58.403
tors. eta vs tors. theta energy: -100.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -978.123662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.123662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.123662 (E_RNA)
where:
Base-Base interactions energy: -615.947
where: short stacking energy: -291.526
Base-Backbone interact. energy: -1.711
local terms energy: -360.465883
where:
bonds (distance) C4'-P energy: -83.951
bonds (distance) P-C4' energy: -81.811
flat angles C4'-P-C4' energy: -100.276
flat angles P-C4'-P energy: -46.033
tors. eta vs tors. theta energy: -48.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -697.207854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.207854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.207854 (E_RNA)
where:
Base-Base interactions energy: -387.667
where: short stacking energy: -189.086
Base-Backbone interact. energy: -2.594
local terms energy: -306.946728
where:
bonds (distance) C4'-P energy: -73.906
bonds (distance) P-C4' energy: -101.855
flat angles C4'-P-C4' energy: -61.970
flat angles P-C4'-P energy: -64.072
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -424.272417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.272417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.272417 (E_RNA)
where:
Base-Base interactions energy: -167.922
where: short stacking energy: -126.305
Base-Backbone interact. energy: -2.699
local terms energy: -253.651369
where:
bonds (distance) C4'-P energy: -81.135
bonds (distance) P-C4' energy: -99.083
flat angles C4'-P-C4' energy: -68.343
flat angles P-C4'-P energy: -33.329
tors. eta vs tors. theta energy: 28.239
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: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1820.137732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.137732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.137732 (E_RNA)
where:
Base-Base interactions energy: -1241.031
where: short stacking energy: -505.988
Base-Backbone interact. energy: -2.387
local terms energy: -576.720274
where:
bonds (distance) C4'-P energy: -108.969
bonds (distance) P-C4' energy: -116.558
flat angles C4'-P-C4' energy: -115.231
flat angles P-C4'-P energy: -83.094
tors. eta vs tors. theta energy: -152.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1806.554458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.554458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.554458 (E_RNA)
where:
Base-Base interactions energy: -1218.143
where: short stacking energy: -546.698
Base-Backbone interact. energy: -1.495
local terms energy: -586.916449
where:
bonds (distance) C4'-P energy: -99.673
bonds (distance) P-C4' energy: -109.642
flat angles C4'-P-C4' energy: -124.783
flat angles P-C4'-P energy: -89.021
tors. eta vs tors. theta energy: -163.798
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: 5
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1681.750741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.750741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.750741 (E_RNA)
where:
Base-Base interactions energy: -1148.625
where: short stacking energy: -505.422
Base-Backbone interact. energy: -1.742
local terms energy: -531.383682
where:
bonds (distance) C4'-P energy: -103.206
bonds (distance) P-C4' energy: -99.692
flat angles C4'-P-C4' energy: -110.475
flat angles P-C4'-P energy: -78.408
tors. eta vs tors. theta energy: -139.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1599.854778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.854778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.854778 (E_RNA)
where:
Base-Base interactions energy: -1084.100
where: short stacking energy: -451.967
Base-Backbone interact. energy: -0.244
local terms energy: -515.510317
where:
bonds (distance) C4'-P energy: -111.815
bonds (distance) P-C4' energy: -111.662
flat angles C4'-P-C4' energy: -108.632
flat angles P-C4'-P energy: -74.616
tors. eta vs tors. theta energy: -108.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1545.348276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.348276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.348276 (E_RNA)
where:
Base-Base interactions energy: -1052.102
where: short stacking energy: -456.054
Base-Backbone interact. energy: -3.908
local terms energy: -489.338401
where:
bonds (distance) C4'-P energy: -87.095
bonds (distance) P-C4' energy: -92.676
flat angles C4'-P-C4' energy: -105.849
flat angles P-C4'-P energy: -87.160
tors. eta vs tors. theta energy: -116.558
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: 6, replica: 9
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1420.038446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.038446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.038446 (E_RNA)
where:
Base-Base interactions energy: -948.596
where: short stacking energy: -407.950
Base-Backbone interact. energy: 0.950
local terms energy: -472.392204
where:
bonds (distance) C4'-P energy: -89.338
bonds (distance) P-C4' energy: -97.818
flat angles C4'-P-C4' energy: -101.324
flat angles P-C4'-P energy: -78.672
tors. eta vs tors. theta energy: -105.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1219.685088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.685088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.685088 (E_RNA)
where:
Base-Base interactions energy: -796.389
where: short stacking energy: -337.969
Base-Backbone interact. energy: -2.593
local terms energy: -420.702915
where:
bonds (distance) C4'-P energy: -108.496
bonds (distance) P-C4' energy: -95.986
flat angles C4'-P-C4' energy: -92.993
flat angles P-C4'-P energy: -56.104
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: 8, replica: 3
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -977.169603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.169603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.169603 (E_RNA)
where:
Base-Base interactions energy: -602.063
where: short stacking energy: -259.803
Base-Backbone interact. energy: -1.425
local terms energy: -373.681960
where:
bonds (distance) C4'-P energy: -93.833
bonds (distance) P-C4' energy: -61.326
flat angles C4'-P-C4' energy: -101.303
flat angles P-C4'-P energy: -70.432
tors. eta vs tors. theta energy: -46.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -732.792301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.792301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.792301 (E_RNA)
where:
Base-Base interactions energy: -394.173
where: short stacking energy: -242.670
Base-Backbone interact. energy: 0.247
local terms energy: -338.866320
where:
bonds (distance) C4'-P energy: -86.852
bonds (distance) P-C4' energy: -90.018
flat angles C4'-P-C4' energy: -97.939
flat angles P-C4'-P energy: -33.558
tors. eta vs tors. theta energy: -30.499
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: 378
Temperature: 1.350000
Total energy: -432.256390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.256390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.256390 (E_RNA)
where:
Base-Base interactions energy: -136.721
where: short stacking energy: -127.929
Base-Backbone interact. energy: -1.600
local terms energy: -293.935571
where:
bonds (distance) C4'-P energy: -86.349
bonds (distance) P-C4' energy: -91.874
flat angles C4'-P-C4' energy: -75.987
flat angles P-C4'-P energy: -41.827
tors. eta vs tors. theta energy: 2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1820.692767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.692767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.692767 (E_RNA)
where:
Base-Base interactions energy: -1257.956
where: short stacking energy: -532.055
Base-Backbone interact. energy: -2.242
local terms energy: -560.495490
where:
bonds (distance) C4'-P energy: -98.980
bonds (distance) P-C4' energy: -118.655
flat angles C4'-P-C4' energy: -116.868
flat angles P-C4'-P energy: -85.819
tors. eta vs tors. theta energy: -140.174
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: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1799.287348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.287348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.287348 (E_RNA)
where:
Base-Base interactions energy: -1225.594
where: short stacking energy: -553.685
Base-Backbone interact. energy: 0.113
local terms energy: -573.806769
where:
bonds (distance) C4'-P energy: -102.437
bonds (distance) P-C4' energy: -110.456
flat angles C4'-P-C4' energy: -123.345
flat angles P-C4'-P energy: -79.333
tors. eta vs tors. theta energy: -158.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1685.551494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.551494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.551494 (E_RNA)
where:
Base-Base interactions energy: -1155.975
where: short stacking energy: -513.649
Base-Backbone interact. energy: 0.879
local terms energy: -530.456116
where:
bonds (distance) C4'-P energy: -94.759
bonds (distance) P-C4' energy: -95.399
flat angles C4'-P-C4' energy: -113.488
flat angles P-C4'-P energy: -90.336
tors. eta vs tors. theta energy: -136.475
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: 1
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1593.172054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.172054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.172054 (E_RNA)
where:
Base-Base interactions energy: -1084.312
where: short stacking energy: -465.863
Base-Backbone interact. energy: 3.562
local terms energy: -512.421845
where:
bonds (distance) C4'-P energy: -95.097
bonds (distance) P-C4' energy: -89.778
flat angles C4'-P-C4' energy: -118.297
flat angles P-C4'-P energy: -81.032
tors. eta vs tors. theta energy: -128.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1469.384915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.384915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.384915 (E_RNA)
where:
Base-Base interactions energy: -992.842
where: short stacking energy: -410.784
Base-Backbone interact. energy: -2.218
local terms energy: -474.324480
where:
bonds (distance) C4'-P energy: -96.020
bonds (distance) P-C4' energy: -101.631
flat angles C4'-P-C4' energy: -103.127
flat angles P-C4'-P energy: -73.121
tors. eta vs tors. theta energy: -100.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1413.460570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.460570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.460570 (E_RNA)
where:
Base-Base interactions energy: -938.503
where: short stacking energy: -399.810
Base-Backbone interact. energy: -0.151
local terms energy: -474.806436
where:
bonds (distance) C4'-P energy: -96.992
bonds (distance) P-C4' energy: -103.416
flat angles C4'-P-C4' energy: -110.652
flat angles P-C4'-P energy: -64.584
tors. eta vs tors. theta energy: -99.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1298.115883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.115883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.115883 (E_RNA)
where:
Base-Base interactions energy: -867.749
where: short stacking energy: -373.281
Base-Backbone interact. energy: -4.099
local terms energy: -426.267520
where:
bonds (distance) C4'-P energy: -85.345
bonds (distance) P-C4' energy: -103.320
flat angles C4'-P-C4' energy: -96.832
flat angles P-C4'-P energy: -50.645
tors. eta vs tors. theta energy: -90.124
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: 8, replica: 3
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -998.056564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.056564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.056564 (E_RNA)
where:
Base-Base interactions energy: -633.880
where: short stacking energy: -267.451
Base-Backbone interact. energy: 2.816
local terms energy: -366.992681
where:
bonds (distance) C4'-P energy: -96.877
bonds (distance) P-C4' energy: -87.641
flat angles C4'-P-C4' energy: -85.848
flat angles P-C4'-P energy: -54.919
tors. eta vs tors. theta energy: -41.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -643.464974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.464974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.464974 (E_RNA)
where:
Base-Base interactions energy: -299.077
where: short stacking energy: -150.976
Base-Backbone interact. energy: 2.838
local terms energy: -347.226001
where:
bonds (distance) C4'-P energy: -87.884
bonds (distance) P-C4' energy: -100.832
flat angles C4'-P-C4' energy: -91.497
flat angles P-C4'-P energy: -63.413
tors. eta vs tors. theta energy: -3.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -434.296134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.296134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.296134 (E_RNA)
where:
Base-Base interactions energy: -147.740
where: short stacking energy: -128.873
Base-Backbone interact. energy: 0.770
local terms energy: -287.325982
where:
bonds (distance) C4'-P energy: -93.794
bonds (distance) P-C4' energy: -95.656
flat angles C4'-P-C4' energy: -51.598
flat angles P-C4'-P energy: -65.700
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: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1831.222557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.222557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.222557 (E_RNA)
where:
Base-Base interactions energy: -1245.698
where: short stacking energy: -565.326
Base-Backbone interact. energy: -2.634
local terms energy: -582.891220
where:
bonds (distance) C4'-P energy: -95.517
bonds (distance) P-C4' energy: -106.420
flat angles C4'-P-C4' energy: -126.546
flat angles P-C4'-P energy: -89.409
tors. eta vs tors. theta energy: -164.999
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: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1785.922899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.922899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.922899 (E_RNA)
where:
Base-Base interactions energy: -1229.489
where: short stacking energy: -538.362
Base-Backbone interact. energy: -2.930
local terms energy: -553.504025
where:
bonds (distance) C4'-P energy: -93.031
bonds (distance) P-C4' energy: -114.680
flat angles C4'-P-C4' energy: -116.221
flat angles P-C4'-P energy: -81.122
tors. eta vs tors. theta energy: -148.451
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: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1654.899795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.899795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.899795 (E_RNA)
where:
Base-Base interactions energy: -1129.034
where: short stacking energy: -500.772
Base-Backbone interact. energy: -1.127
local terms energy: -524.739229
where:
bonds (distance) C4'-P energy: -89.920
bonds (distance) P-C4' energy: -102.140
flat angles C4'-P-C4' energy: -111.620
flat angles P-C4'-P energy: -86.133
tors. eta vs tors. theta energy: -134.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1561.982343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.982343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.982343 (E_RNA)
where:
Base-Base interactions energy: -1047.672
where: short stacking energy: -431.158
Base-Backbone interact. energy: -0.699
local terms energy: -513.611598
where:
bonds (distance) C4'-P energy: -99.480
bonds (distance) P-C4' energy: -91.848
flat angles C4'-P-C4' energy: -117.345
flat angles P-C4'-P energy: -70.928
tors. eta vs tors. theta energy: -134.010
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: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1497.193142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.193142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.193142 (E_RNA)
where:
Base-Base interactions energy: -1019.951
where: short stacking energy: -437.118
Base-Backbone interact. energy: -2.303
local terms energy: -474.938669
where:
bonds (distance) C4'-P energy: -95.087
bonds (distance) P-C4' energy: -101.032
flat angles C4'-P-C4' energy: -106.054
flat angles P-C4'-P energy: -63.784
tors. eta vs tors. theta energy: -108.981
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: 6, replica: 9
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1431.633046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.633046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.633046 (E_RNA)
where:
Base-Base interactions energy: -976.564
where: short stacking energy: -411.606
Base-Backbone interact. energy: -1.228
local terms energy: -453.841290
where:
bonds (distance) C4'-P energy: -96.211
bonds (distance) P-C4' energy: -92.150
flat angles C4'-P-C4' energy: -90.597
flat angles P-C4'-P energy: -66.034
tors. eta vs tors. theta energy: -108.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1234.306135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.306135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.306135 (E_RNA)
where:
Base-Base interactions energy: -833.630
where: short stacking energy: -369.066
Base-Backbone interact. energy: -1.079
local terms energy: -399.596737
where:
bonds (distance) C4'-P energy: -79.812
bonds (distance) P-C4' energy: -89.695
flat angles C4'-P-C4' energy: -91.120
flat angles P-C4'-P energy: -53.337
tors. eta vs tors. theta energy: -85.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1044.554250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.554250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.554250 (E_RNA)
where:
Base-Base interactions energy: -654.182
where: short stacking energy: -306.640
Base-Backbone interact. energy: -1.938
local terms energy: -388.434495
where:
bonds (distance) C4'-P energy: -93.959
bonds (distance) P-C4' energy: -94.822
flat angles C4'-P-C4' energy: -99.331
flat angles P-C4'-P energy: -50.894
tors. eta vs tors. theta energy: -49.429
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: 9, replica: 8
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -684.576559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.576559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.576559 (E_RNA)
where:
Base-Base interactions energy: -343.084
where: short stacking energy: -189.467
Base-Backbone interact. energy: 1.548
local terms energy: -343.041239
where:
bonds (distance) C4'-P energy: -91.109
bonds (distance) P-C4' energy: -97.532
flat angles C4'-P-C4' energy: -94.199
flat angles P-C4'-P energy: -46.681
tors. eta vs tors. theta energy: -13.521
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: 380
Temperature: 1.350000
Total energy: -421.674197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.674197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.674197 (E_RNA)
where:
Base-Base interactions energy: -173.345
where: short stacking energy: -131.900
Base-Backbone interact. energy: -0.081
local terms energy: -248.248001
where:
bonds (distance) C4'-P energy: -75.661
bonds (distance) P-C4' energy: -79.505
flat angles C4'-P-C4' energy: -72.398
flat angles P-C4'-P energy: -47.903
tors. eta vs tors. theta energy: 27.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1831.540536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.540536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.540536 (E_RNA)
where:
Base-Base interactions energy: -1241.549
where: short stacking energy: -553.701
Base-Backbone interact. energy: -0.552
local terms energy: -589.438962
where:
bonds (distance) C4'-P energy: -91.187
bonds (distance) P-C4' energy: -116.515
flat angles C4'-P-C4' energy: -131.177
flat angles P-C4'-P energy: -84.157
tors. eta vs tors. theta energy: -166.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1809.724966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.724966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.724966 (E_RNA)
where:
Base-Base interactions energy: -1227.679
where: short stacking energy: -497.769
Base-Backbone interact. energy: -2.562
local terms energy: -579.483885
where:
bonds (distance) C4'-P energy: -101.586
bonds (distance) P-C4' energy: -117.961
flat angles C4'-P-C4' energy: -125.857
flat angles P-C4'-P energy: -85.088
tors. eta vs tors. theta energy: -148.992
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: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1696.926245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.926245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.926245 (E_RNA)
where:
Base-Base interactions energy: -1162.992
where: short stacking energy: -488.710
Base-Backbone interact. energy: 0.058
local terms energy: -533.992894
where:
bonds (distance) C4'-P energy: -88.630
bonds (distance) P-C4' energy: -108.962
flat angles C4'-P-C4' energy: -105.786
flat angles P-C4'-P energy: -81.478
tors. eta vs tors. theta energy: -149.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1605.347240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.347240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.347240 (E_RNA)
where:
Base-Base interactions energy: -1084.011
where: short stacking energy: -440.610
Base-Backbone interact. energy: -3.188
local terms energy: -518.148700
where:
bonds (distance) C4'-P energy: -102.156
bonds (distance) P-C4' energy: -104.904
flat angles C4'-P-C4' energy: -109.011
flat angles P-C4'-P energy: -75.773
tors. eta vs tors. theta energy: -126.304
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: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1506.724654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.724654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.724654 (E_RNA)
where:
Base-Base interactions energy: -1025.271
where: short stacking energy: -447.964
Base-Backbone interact. energy: -0.933
local terms energy: -480.520322
where:
bonds (distance) C4'-P energy: -96.637
bonds (distance) P-C4' energy: -107.915
flat angles C4'-P-C4' energy: -89.840
flat angles P-C4'-P energy: -66.175
tors. eta vs tors. theta energy: -119.954
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: 9
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1358.648130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.648130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.648130 (E_RNA)
where:
Base-Base interactions energy: -914.260
where: short stacking energy: -378.062
Base-Backbone interact. energy: -1.113
local terms energy: -443.275062
where:
bonds (distance) C4'-P energy: -81.052
bonds (distance) P-C4' energy: -99.741
flat angles C4'-P-C4' energy: -107.464
flat angles P-C4'-P energy: -54.994
tors. eta vs tors. theta energy: -100.023
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: 4
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1268.553689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.553689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.553689 (E_RNA)
where:
Base-Base interactions energy: -864.330
where: short stacking energy: -355.155
Base-Backbone interact. energy: -4.712
local terms energy: -399.511009
where:
bonds (distance) C4'-P energy: -93.156
bonds (distance) P-C4' energy: -91.917
flat angles C4'-P-C4' energy: -94.772
flat angles P-C4'-P energy: -60.965
tors. eta vs tors. theta energy: -58.701
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: 3
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1008.248669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.248669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.248669 (E_RNA)
where:
Base-Base interactions energy: -659.240
where: short stacking energy: -295.407
Base-Backbone interact. energy: 0.433
local terms energy: -349.441437
where:
bonds (distance) C4'-P energy: -57.162
bonds (distance) P-C4' energy: -95.402
flat angles C4'-P-C4' energy: -98.898
flat angles P-C4'-P energy: -52.608
tors. eta vs tors. theta energy: -45.370
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: 9, replica: 8
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -753.231352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.231352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.231352 (E_RNA)
where:
Base-Base interactions energy: -406.801
where: short stacking energy: -214.593
Base-Backbone interact. energy: -2.189
local terms energy: -344.241325
where:
bonds (distance) C4'-P energy: -94.558
bonds (distance) P-C4' energy: -81.736
flat angles C4'-P-C4' energy: -104.815
flat angles P-C4'-P energy: -41.501
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: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -532.722902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.722902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.722902 (E_RNA)
where:
Base-Base interactions energy: -239.958
where: short stacking energy: -154.451
Base-Backbone interact. energy: -1.223
local terms energy: -291.542651
where:
bonds (distance) C4'-P energy: -79.130
bonds (distance) P-C4' energy: -80.929
flat angles C4'-P-C4' energy: -81.159
flat angles P-C4'-P energy: -61.461
tors. eta vs tors. theta energy: 11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1825.554302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.554302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.554302 (E_RNA)
where:
Base-Base interactions energy: -1263.645
where: short stacking energy: -562.148
Base-Backbone interact. energy: -0.457
local terms energy: -561.452208
where:
bonds (distance) C4'-P energy: -101.524
bonds (distance) P-C4' energy: -90.796
flat angles C4'-P-C4' energy: -118.837
flat angles P-C4'-P energy: -93.116
tors. eta vs tors. theta energy: -157.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1781.258016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.258016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.258016 (E_RNA)
where:
Base-Base interactions energy: -1227.050
where: short stacking energy: -502.366
Base-Backbone interact. energy: -2.931
local terms energy: -551.276117
where:
bonds (distance) C4'-P energy: -105.753
bonds (distance) P-C4' energy: -112.609
flat angles C4'-P-C4' energy: -118.142
flat angles P-C4'-P energy: -76.295
tors. eta vs tors. theta energy: -138.477
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: 382
Temperature: 1.000000
Total energy: -1678.203079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.203079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.203079 (E_RNA)
where:
Base-Base interactions energy: -1141.664
where: short stacking energy: -489.875
Base-Backbone interact. energy: -3.244
local terms energy: -533.294561
where:
bonds (distance) C4'-P energy: -92.179
bonds (distance) P-C4' energy: -105.298
flat angles C4'-P-C4' energy: -113.253
flat angles P-C4'-P energy: -84.026
tors. eta vs tors. theta energy: -138.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1602.734760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.734760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.734760 (E_RNA)
where:
Base-Base interactions energy: -1088.156
where: short stacking energy: -459.163
Base-Backbone interact. energy: -1.053
local terms energy: -513.526237
where:
bonds (distance) C4'-P energy: -109.629
bonds (distance) P-C4' energy: -99.656
flat angles C4'-P-C4' energy: -113.984
flat angles P-C4'-P energy: -74.186
tors. eta vs tors. theta energy: -116.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1541.564189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.564189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.564189 (E_RNA)
where:
Base-Base interactions energy: -1052.230
where: short stacking energy: -433.229
Base-Backbone interact. energy: -2.107
local terms energy: -487.227235
where:
bonds (distance) C4'-P energy: -96.325
bonds (distance) P-C4' energy: -104.307
flat angles C4'-P-C4' energy: -109.361
flat angles P-C4'-P energy: -65.093
tors. eta vs tors. theta energy: -112.141
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: 9
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1398.089139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.089139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.089139 (E_RNA)
where:
Base-Base interactions energy: -901.790
where: short stacking energy: -392.098
Base-Backbone interact. energy: 1.510
local terms energy: -497.809074
where:
bonds (distance) C4'-P energy: -95.082
bonds (distance) P-C4' energy: -97.120
flat angles C4'-P-C4' energy: -115.268
flat angles P-C4'-P energy: -79.058
tors. eta vs tors. theta energy: -111.282
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: 4
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1273.248954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.248954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.248954 (E_RNA)
where:
Base-Base interactions energy: -864.015
where: short stacking energy: -357.392
Base-Backbone interact. energy: 1.698
local terms energy: -410.932337
where:
bonds (distance) C4'-P energy: -69.712
bonds (distance) P-C4' energy: -112.905
flat angles C4'-P-C4' energy: -91.606
flat angles P-C4'-P energy: -56.487
tors. eta vs tors. theta energy: -80.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -995.258418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.258418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.258418 (E_RNA)
where:
Base-Base interactions energy: -623.069
where: short stacking energy: -277.301
Base-Backbone interact. energy: 2.144
local terms energy: -374.332680
where:
bonds (distance) C4'-P energy: -76.163
bonds (distance) P-C4' energy: -98.899
flat angles C4'-P-C4' energy: -93.848
flat angles P-C4'-P energy: -63.899
tors. eta vs tors. theta energy: -41.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -725.922299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.922299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.922299 (E_RNA)
where:
Base-Base interactions energy: -424.629
where: short stacking energy: -226.969
Base-Backbone interact. energy: -1.610
local terms energy: -299.683535
where:
bonds (distance) C4'-P energy: -74.594
bonds (distance) P-C4' energy: -100.665
flat angles C4'-P-C4' energy: -61.746
flat angles P-C4'-P energy: -43.765
tors. eta vs tors. theta energy: -18.914
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: 382
Temperature: 1.350000
Total energy: -502.569577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.569577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.569577 (E_RNA)
where:
Base-Base interactions energy: -203.056
where: short stacking energy: -136.082
Base-Backbone interact. energy: 0.237
local terms energy: -299.749739
where:
bonds (distance) C4'-P energy: -90.238
bonds (distance) P-C4' energy: -88.333
flat angles C4'-P-C4' energy: -79.650
flat angles P-C4'-P energy: -43.572
tors. eta vs tors. theta energy: 2.043
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: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1842.414831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.414831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.414831 (E_RNA)
where:
Base-Base interactions energy: -1252.368
where: short stacking energy: -546.800
Base-Backbone interact. energy: -0.637
local terms energy: -589.410157
where:
bonds (distance) C4'-P energy: -109.295
bonds (distance) P-C4' energy: -119.412
flat angles C4'-P-C4' energy: -122.264
flat angles P-C4'-P energy: -84.882
tors. eta vs tors. theta energy: -153.558
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: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1785.463103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.463103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.463103 (E_RNA)
where:
Base-Base interactions energy: -1232.404
where: short stacking energy: -502.541
Base-Backbone interact. energy: -0.807
local terms energy: -552.252719
where:
bonds (distance) C4'-P energy: -103.812
bonds (distance) P-C4' energy: -108.188
flat angles C4'-P-C4' energy: -114.719
flat angles P-C4'-P energy: -84.593
tors. eta vs tors. theta energy: -140.940
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: 3, replica: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1720.498077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.498077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.498077 (E_RNA)
where:
Base-Base interactions energy: -1184.562
where: short stacking energy: -519.527
Base-Backbone interact. energy: -2.096
local terms energy: -533.840016
where:
bonds (distance) C4'-P energy: -95.199
bonds (distance) P-C4' energy: -92.945
flat angles C4'-P-C4' energy: -105.091
flat angles P-C4'-P energy: -81.448
tors. eta vs tors. theta energy: -159.157
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: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1579.200068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.200068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.200068 (E_RNA)
where:
Base-Base interactions energy: -1085.259
where: short stacking energy: -489.660
Base-Backbone interact. energy: -0.375
local terms energy: -493.565889
where:
bonds (distance) C4'-P energy: -95.630
bonds (distance) P-C4' energy: -93.427
flat angles C4'-P-C4' energy: -96.036
flat angles P-C4'-P energy: -73.047
tors. eta vs tors. theta energy: -135.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1617.169032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.169032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.169032 (E_RNA)
where:
Base-Base interactions energy: -1103.642
where: short stacking energy: -485.108
Base-Backbone interact. energy: -0.100
local terms energy: -513.427143
where:
bonds (distance) C4'-P energy: -106.442
bonds (distance) P-C4' energy: -100.229
flat angles C4'-P-C4' energy: -104.161
flat angles P-C4'-P energy: -72.996
tors. eta vs tors. theta energy: -129.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1432.715899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.715899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.715899 (E_RNA)
where:
Base-Base interactions energy: -972.794
where: short stacking energy: -427.746
Base-Backbone interact. energy: -1.380
local terms energy: -458.541268
where:
bonds (distance) C4'-P energy: -98.233
bonds (distance) P-C4' energy: -87.719
flat angles C4'-P-C4' energy: -96.331
flat angles P-C4'-P energy: -59.265
tors. eta vs tors. theta energy: -116.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1272.238315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.238315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.238315 (E_RNA)
where:
Base-Base interactions energy: -845.788
where: short stacking energy: -361.644
Base-Backbone interact. energy: 1.957
local terms energy: -428.406969
where:
bonds (distance) C4'-P energy: -99.189
bonds (distance) P-C4' energy: -90.744
flat angles C4'-P-C4' energy: -87.355
flat angles P-C4'-P energy: -66.954
tors. eta vs tors. theta energy: -84.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -971.477467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.477467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.477467 (E_RNA)
where:
Base-Base interactions energy: -627.896
where: short stacking energy: -293.609
Base-Backbone interact. energy: 1.430
local terms energy: -345.012101
where:
bonds (distance) C4'-P energy: -93.718
bonds (distance) P-C4' energy: -98.400
flat angles C4'-P-C4' energy: -69.006
flat angles P-C4'-P energy: -40.064
tors. eta vs tors. theta energy: -43.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -763.003074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.003074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.003074 (E_RNA)
where:
Base-Base interactions energy: -429.983
where: short stacking energy: -233.997
Base-Backbone interact. energy: 2.584
local terms energy: -335.604482
where:
bonds (distance) C4'-P energy: -84.631
bonds (distance) P-C4' energy: -89.832
flat angles C4'-P-C4' energy: -88.808
flat angles P-C4'-P energy: -47.467
tors. eta vs tors. theta energy: -24.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -512.176373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.176373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.176373 (E_RNA)
where:
Base-Base interactions energy: -238.416
where: short stacking energy: -150.702
Base-Backbone interact. energy: 0.812
local terms energy: -274.572610
where:
bonds (distance) C4'-P energy: -82.379
bonds (distance) P-C4' energy: -81.208
flat angles C4'-P-C4' energy: -78.700
flat angles P-C4'-P energy: -42.989
tors. eta vs tors. theta energy: 10.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1838.546545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.546545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.546545 (E_RNA)
where:
Base-Base interactions energy: -1260.643
where: short stacking energy: -567.726
Base-Backbone interact. energy: -4.044
local terms energy: -573.860023
where:
bonds (distance) C4'-P energy: -104.487
bonds (distance) P-C4' energy: -103.909
flat angles C4'-P-C4' energy: -116.074
flat angles P-C4'-P energy: -83.944
tors. eta vs tors. theta energy: -165.447
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: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1823.630797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.630797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.630797 (E_RNA)
where:
Base-Base interactions energy: -1244.754
where: short stacking energy: -539.598
Base-Backbone interact. energy: -2.634
local terms energy: -576.242639
where:
bonds (distance) C4'-P energy: -117.773
bonds (distance) P-C4' energy: -99.789
flat angles C4'-P-C4' energy: -126.882
flat angles P-C4'-P energy: -84.078
tors. eta vs tors. theta energy: -147.721
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: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1744.191501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.191501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.191501 (E_RNA)
where:
Base-Base interactions energy: -1215.717
where: short stacking energy: -509.667
Base-Backbone interact. energy: -2.370
local terms energy: -526.103978
where:
bonds (distance) C4'-P energy: -95.013
bonds (distance) P-C4' energy: -99.029
flat angles C4'-P-C4' energy: -101.568
flat angles P-C4'-P energy: -79.497
tors. eta vs tors. theta energy: -150.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1590.990062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.990062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.990062 (E_RNA)
where:
Base-Base interactions energy: -1087.884
where: short stacking energy: -476.074
Base-Backbone interact. energy: 4.418
local terms energy: -507.524192
where:
bonds (distance) C4'-P energy: -100.615
bonds (distance) P-C4' energy: -98.684
flat angles C4'-P-C4' energy: -120.192
flat angles P-C4'-P energy: -58.952
tors. eta vs tors. theta energy: -129.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1600.575089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.575089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.575089 (E_RNA)
where:
Base-Base interactions energy: -1081.681
where: short stacking energy: -493.661
Base-Backbone interact. energy: -0.495
local terms energy: -518.398897
where:
bonds (distance) C4'-P energy: -92.795
bonds (distance) P-C4' energy: -104.432
flat angles C4'-P-C4' energy: -111.526
flat angles P-C4'-P energy: -67.457
tors. eta vs tors. theta energy: -142.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1469.722616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.722616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.722616 (E_RNA)
where:
Base-Base interactions energy: -979.884
where: short stacking energy: -424.667
Base-Backbone interact. energy: 4.034
local terms energy: -493.872372
where:
bonds (distance) C4'-P energy: -81.904
bonds (distance) P-C4' energy: -104.713
flat angles C4'-P-C4' energy: -113.998
flat angles P-C4'-P energy: -70.288
tors. eta vs tors. theta energy: -122.970
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: 4
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1291.842540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.842540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.842540 (E_RNA)
where:
Base-Base interactions energy: -848.714
where: short stacking energy: -353.734
Base-Backbone interact. energy: -1.942
local terms energy: -441.186680
where:
bonds (distance) C4'-P energy: -87.023
bonds (distance) P-C4' energy: -97.596
flat angles C4'-P-C4' energy: -91.553
flat angles P-C4'-P energy: -74.639
tors. eta vs tors. theta energy: -90.376
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: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1058.840259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.840259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.840259 (E_RNA)
where:
Base-Base interactions energy: -695.290
where: short stacking energy: -328.740
Base-Backbone interact. energy: 4.014
local terms energy: -367.564782
where:
bonds (distance) C4'-P energy: -82.052
bonds (distance) P-C4' energy: -89.415
flat angles C4'-P-C4' energy: -88.123
flat angles P-C4'-P energy: -48.880
tors. eta vs tors. theta energy: -59.094
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: 9, replica: 8
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -737.392605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.392605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.392605 (E_RNA)
where:
Base-Base interactions energy: -427.691
where: short stacking energy: -215.052
Base-Backbone interact. energy: 5.812
local terms energy: -315.512934
where:
bonds (distance) C4'-P energy: -79.212
bonds (distance) P-C4' energy: -87.625
flat angles C4'-P-C4' energy: -95.319
flat angles P-C4'-P energy: -50.802
tors. eta vs tors. theta energy: -2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -522.467202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.467202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.467202 (E_RNA)
where:
Base-Base interactions energy: -235.377
where: short stacking energy: -121.343
Base-Backbone interact. energy: 4.214
local terms energy: -291.304934
where:
bonds (distance) C4'-P energy: -85.409
bonds (distance) P-C4' energy: -87.636
flat angles C4'-P-C4' energy: -83.282
flat angles P-C4'-P energy: -54.264
tors. eta vs tors. theta energy: 19.286
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: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1843.191657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.191657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.191657 (E_RNA)
where:
Base-Base interactions energy: -1248.557
where: short stacking energy: -556.989
Base-Backbone interact. energy: -3.056
local terms energy: -591.578589
where:
bonds (distance) C4'-P energy: -113.599
bonds (distance) P-C4' energy: -106.111
flat angles C4'-P-C4' energy: -117.424
flat angles P-C4'-P energy: -91.739
tors. eta vs tors. theta energy: -162.705
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: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1804.737558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.737558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.737558 (E_RNA)
where:
Base-Base interactions energy: -1210.034
where: short stacking energy: -529.533
Base-Backbone interact. energy: -5.470
local terms energy: -589.233529
where:
bonds (distance) C4'-P energy: -113.652
bonds (distance) P-C4' energy: -120.658
flat angles C4'-P-C4' energy: -112.327
flat angles P-C4'-P energy: -83.330
tors. eta vs tors. theta energy: -159.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1747.391647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.391647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.391647 (E_RNA)
where:
Base-Base interactions energy: -1193.908
where: short stacking energy: -513.100
Base-Backbone interact. energy: -1.366
local terms energy: -552.117771
where:
bonds (distance) C4'-P energy: -101.099
bonds (distance) P-C4' energy: -98.723
flat angles C4'-P-C4' energy: -128.213
flat angles P-C4'-P energy: -73.517
tors. eta vs tors. theta energy: -150.565
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: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1656.035423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.035423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.035423 (E_RNA)
where:
Base-Base interactions energy: -1121.423
where: short stacking energy: -487.515
Base-Backbone interact. energy: -3.613
local terms energy: -530.999809
where:
bonds (distance) C4'-P energy: -96.654
bonds (distance) P-C4' energy: -109.022
flat angles C4'-P-C4' energy: -110.925
flat angles P-C4'-P energy: -74.544
tors. eta vs tors. theta energy: -139.856
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: 385
Temperature: 1.100000
Total energy: -1487.122519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.122519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.122519 (E_RNA)
where:
Base-Base interactions energy: -1021.450
where: short stacking energy: -440.867
Base-Backbone interact. energy: -1.860
local terms energy: -463.812620
where:
bonds (distance) C4'-P energy: -104.214
bonds (distance) P-C4' energy: -78.503
flat angles C4'-P-C4' energy: -110.065
flat angles P-C4'-P energy: -61.747
tors. eta vs tors. theta energy: -109.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1466.424887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.424887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.424887 (E_RNA)
where:
Base-Base interactions energy: -976.777
where: short stacking energy: -436.483
Base-Backbone interact. energy: -1.466
local terms energy: -488.181244
where:
bonds (distance) C4'-P energy: -80.403
bonds (distance) P-C4' energy: -83.846
flat angles C4'-P-C4' energy: -115.453
flat angles P-C4'-P energy: -81.730
tors. eta vs tors. theta energy: -126.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1324.474005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.474005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.474005 (E_RNA)
where:
Base-Base interactions energy: -861.846
where: short stacking energy: -361.933
Base-Backbone interact. energy: -3.002
local terms energy: -459.626568
where:
bonds (distance) C4'-P energy: -85.634
bonds (distance) P-C4' energy: -92.371
flat angles C4'-P-C4' energy: -118.384
flat angles P-C4'-P energy: -75.069
tors. eta vs tors. theta energy: -88.169
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: 8, replica: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1048.979529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.979529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.979529 (E_RNA)
where:
Base-Base interactions energy: -693.931
where: short stacking energy: -314.412
Base-Backbone interact. energy: 4.814
local terms energy: -359.862895
where:
bonds (distance) C4'-P energy: -86.960
bonds (distance) P-C4' energy: -89.671
flat angles C4'-P-C4' energy: -73.923
flat angles P-C4'-P energy: -52.469
tors. eta vs tors. theta energy: -56.840
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: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -721.954118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.954118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.954118 (E_RNA)
where:
Base-Base interactions energy: -398.526
where: short stacking energy: -179.714
Base-Backbone interact. energy: -0.620
local terms energy: -322.807816
where:
bonds (distance) C4'-P energy: -82.142
bonds (distance) P-C4' energy: -97.270
flat angles C4'-P-C4' energy: -79.641
flat angles P-C4'-P energy: -50.859
tors. eta vs tors. theta energy: -12.896
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: 385
Temperature: 1.350000
Total energy: -490.912998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.912998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.912998 (E_RNA)
where:
Base-Base interactions energy: -225.691
where: short stacking energy: -129.310
Base-Backbone interact. energy: -1.724
local terms energy: -263.497368
where:
bonds (distance) C4'-P energy: -81.246
bonds (distance) P-C4' energy: -70.564
flat angles C4'-P-C4' energy: -70.720
flat angles P-C4'-P energy: -55.026
tors. eta vs tors. theta energy: 14.059
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: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1864.695796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.695796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.695796 (E_RNA)
where:
Base-Base interactions energy: -1264.276
where: short stacking energy: -554.620
Base-Backbone interact. energy: -2.190
local terms energy: -598.230012
where:
bonds (distance) C4'-P energy: -115.091
bonds (distance) P-C4' energy: -102.057
flat angles C4'-P-C4' energy: -125.659
flat angles P-C4'-P energy: -89.506
tors. eta vs tors. theta energy: -165.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1778.336398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.336398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.336398 (E_RNA)
where:
Base-Base interactions energy: -1222.629
where: short stacking energy: -524.320
Base-Backbone interact. energy: -3.072
local terms energy: -552.636152
where:
bonds (distance) C4'-P energy: -94.543
bonds (distance) P-C4' energy: -111.058
flat angles C4'-P-C4' energy: -121.234
flat angles P-C4'-P energy: -75.118
tors. eta vs tors. theta energy: -150.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1728.221135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.221135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.221135 (E_RNA)
where:
Base-Base interactions energy: -1177.987
where: short stacking energy: -529.096
Base-Backbone interact. energy: -0.624
local terms energy: -549.609971
where:
bonds (distance) C4'-P energy: -107.718
bonds (distance) P-C4' energy: -106.528
flat angles C4'-P-C4' energy: -104.165
flat angles P-C4'-P energy: -72.197
tors. eta vs tors. theta energy: -159.003
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: 6
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1612.274769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.274769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.274769 (E_RNA)
where:
Base-Base interactions energy: -1104.815
where: short stacking energy: -472.232
Base-Backbone interact. energy: 0.788
local terms energy: -508.248027
where:
bonds (distance) C4'-P energy: -103.172
bonds (distance) P-C4' energy: -100.709
flat angles C4'-P-C4' energy: -108.536
flat angles P-C4'-P energy: -70.737
tors. eta vs tors. theta energy: -125.094
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: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1488.996305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.996305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.996305 (E_RNA)
where:
Base-Base interactions energy: -983.958
where: short stacking energy: -441.706
Base-Backbone interact. energy: -3.148
local terms energy: -501.889754
where:
bonds (distance) C4'-P energy: -108.317
bonds (distance) P-C4' energy: -107.469
flat angles C4'-P-C4' energy: -95.231
flat angles P-C4'-P energy: -75.297
tors. eta vs tors. theta energy: -115.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1444.571319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.571319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.571319 (E_RNA)
where:
Base-Base interactions energy: -986.574
where: short stacking energy: -422.818
Base-Backbone interact. energy: 4.181
local terms energy: -462.178720
where:
bonds (distance) C4'-P energy: -110.071
bonds (distance) P-C4' energy: -85.770
flat angles C4'-P-C4' energy: -103.219
flat angles P-C4'-P energy: -65.442
tors. eta vs tors. theta energy: -97.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1303.648289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.648289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.648289 (E_RNA)
where:
Base-Base interactions energy: -858.082
where: short stacking energy: -344.648
Base-Backbone interact. energy: -2.836
local terms energy: -442.730591
where:
bonds (distance) C4'-P energy: -98.163
bonds (distance) P-C4' energy: -86.241
flat angles C4'-P-C4' energy: -99.058
flat angles P-C4'-P energy: -69.548
tors. eta vs tors. theta energy: -89.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1030.906837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.906837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.906837 (E_RNA)
where:
Base-Base interactions energy: -667.823
where: short stacking energy: -313.838
Base-Backbone interact. energy: 2.002
local terms energy: -365.085551
where:
bonds (distance) C4'-P energy: -80.051
bonds (distance) P-C4' energy: -95.568
flat angles C4'-P-C4' energy: -92.304
flat angles P-C4'-P energy: -47.354
tors. eta vs tors. theta energy: -49.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -794.174866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.174866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.174866 (E_RNA)
where:
Base-Base interactions energy: -483.261
where: short stacking energy: -236.686
Base-Backbone interact. energy: -1.315
local terms energy: -309.599117
where:
bonds (distance) C4'-P energy: -90.916
bonds (distance) P-C4' energy: -90.607
flat angles C4'-P-C4' energy: -75.062
flat angles P-C4'-P energy: -41.126
tors. eta vs tors. theta energy: -11.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -518.828066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.828066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.828066 (E_RNA)
where:
Base-Base interactions energy: -203.482
where: short stacking energy: -146.134
Base-Backbone interact. energy: -1.415
local terms energy: -313.930209
where:
bonds (distance) C4'-P energy: -93.866
bonds (distance) P-C4' energy: -85.706
flat angles C4'-P-C4' energy: -83.860
flat angles P-C4'-P energy: -41.433
tors. eta vs tors. theta energy: -9.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1874.856873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.856873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.856873 (E_RNA)
where:
Base-Base interactions energy: -1286.872
where: short stacking energy: -565.924
Base-Backbone interact. energy: 2.127
local terms energy: -590.111366
where:
bonds (distance) C4'-P energy: -99.719
bonds (distance) P-C4' energy: -115.644
flat angles C4'-P-C4' energy: -122.180
flat angles P-C4'-P energy: -82.736
tors. eta vs tors. theta energy: -169.832
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: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1778.971635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.971635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.971635 (E_RNA)
where:
Base-Base interactions energy: -1225.715
where: short stacking energy: -516.711
Base-Backbone interact. energy: -4.336
local terms energy: -548.920548
where:
bonds (distance) C4'-P energy: -94.099
bonds (distance) P-C4' energy: -110.227
flat angles C4'-P-C4' energy: -127.167
flat angles P-C4'-P energy: -70.413
tors. eta vs tors. theta energy: -147.015
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: 3, replica: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1735.950565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.950565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.950565 (E_RNA)
where:
Base-Base interactions energy: -1175.437
where: short stacking energy: -509.913
Base-Backbone interact. energy: -0.436
local terms energy: -560.077832
where:
bonds (distance) C4'-P energy: -96.935
bonds (distance) P-C4' energy: -101.140
flat angles C4'-P-C4' energy: -120.181
flat angles P-C4'-P energy: -85.411
tors. eta vs tors. theta energy: -156.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1638.223662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.223662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.223662 (E_RNA)
where:
Base-Base interactions energy: -1132.180
where: short stacking energy: -508.176
Base-Backbone interact. energy: -2.472
local terms energy: -503.571020
where:
bonds (distance) C4'-P energy: -105.169
bonds (distance) P-C4' energy: -84.233
flat angles C4'-P-C4' energy: -108.076
flat angles P-C4'-P energy: -68.198
tors. eta vs tors. theta energy: -137.896
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: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1495.799032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.799032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.799032 (E_RNA)
where:
Base-Base interactions energy: -982.580
where: short stacking energy: -425.760
Base-Backbone interact. energy: 2.891
local terms energy: -516.110327
where:
bonds (distance) C4'-P energy: -110.858
bonds (distance) P-C4' energy: -106.635
flat angles C4'-P-C4' energy: -123.484
flat angles P-C4'-P energy: -64.525
tors. eta vs tors. theta energy: -110.609
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: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1450.593080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.593080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.593080 (E_RNA)
where:
Base-Base interactions energy: -989.015
where: short stacking energy: -413.720
Base-Backbone interact. energy: 1.444
local terms energy: -463.022019
where:
bonds (distance) C4'-P energy: -87.728
bonds (distance) P-C4' energy: -98.358
flat angles C4'-P-C4' energy: -101.717
flat angles P-C4'-P energy: -53.415
tors. eta vs tors. theta energy: -121.803
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: 4
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1340.379774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.379774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.379774 (E_RNA)
where:
Base-Base interactions energy: -933.518
where: short stacking energy: -373.595
Base-Backbone interact. energy: 8.284
local terms energy: -415.145502
where:
bonds (distance) C4'-P energy: -76.874
bonds (distance) P-C4' energy: -103.861
flat angles C4'-P-C4' energy: -87.753
flat angles P-C4'-P energy: -53.530
tors. eta vs tors. theta energy: -93.128
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: 3
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1010.673168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.673168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.673168 (E_RNA)
where:
Base-Base interactions energy: -626.054
where: short stacking energy: -265.818
Base-Backbone interact. energy: 2.696
local terms energy: -387.315281
where:
bonds (distance) C4'-P energy: -93.216
bonds (distance) P-C4' energy: -79.485
flat angles C4'-P-C4' energy: -107.429
flat angles P-C4'-P energy: -67.691
tors. eta vs tors. theta energy: -39.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -855.390447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.390447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.390447 (E_RNA)
where:
Base-Base interactions energy: -492.269
where: short stacking energy: -250.489
Base-Backbone interact. energy: -3.110
local terms energy: -360.011669
where:
bonds (distance) C4'-P energy: -104.024
bonds (distance) P-C4' energy: -72.462
flat angles C4'-P-C4' energy: -94.091
flat angles P-C4'-P energy: -44.756
tors. eta vs tors. theta energy: -44.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -428.132150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.132150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.132150 (E_RNA)
where:
Base-Base interactions energy: -140.028
where: short stacking energy: -119.064
Base-Backbone interact. energy: 2.259
local terms energy: -290.362790
where:
bonds (distance) C4'-P energy: -84.164
bonds (distance) P-C4' energy: -97.803
flat angles C4'-P-C4' energy: -73.383
flat angles P-C4'-P energy: -46.426
tors. eta vs tors. theta energy: 11.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1840.133337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.133337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.133337 (E_RNA)
where:
Base-Base interactions energy: -1257.615
where: short stacking energy: -557.194
Base-Backbone interact. energy: -1.418
local terms energy: -581.100708
where:
bonds (distance) C4'-P energy: -111.100
bonds (distance) P-C4' energy: -98.922
flat angles C4'-P-C4' energy: -121.288
flat angles P-C4'-P energy: -81.648
tors. eta vs tors. theta energy: -168.143
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: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1795.038760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.038760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.038760 (E_RNA)
where:
Base-Base interactions energy: -1233.433
where: short stacking energy: -534.797
Base-Backbone interact. energy: -1.335
local terms energy: -560.270409
where:
bonds (distance) C4'-P energy: -105.883
bonds (distance) P-C4' energy: -102.044
flat angles C4'-P-C4' energy: -118.969
flat angles P-C4'-P energy: -81.861
tors. eta vs tors. theta energy: -151.514
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: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1712.298477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.298477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.298477 (E_RNA)
where:
Base-Base interactions energy: -1173.636
where: short stacking energy: -527.800
Base-Backbone interact. energy: -0.796
local terms energy: -537.866603
where:
bonds (distance) C4'-P energy: -87.218
bonds (distance) P-C4' energy: -104.496
flat angles C4'-P-C4' energy: -115.187
flat angles P-C4'-P energy: -79.055
tors. eta vs tors. theta energy: -151.911
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: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1666.400804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.400804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.400804 (E_RNA)
where:
Base-Base interactions energy: -1126.390
where: short stacking energy: -482.303
Base-Backbone interact. energy: -1.394
local terms energy: -538.617180
where:
bonds (distance) C4'-P energy: -89.129
bonds (distance) P-C4' energy: -114.518
flat angles C4'-P-C4' energy: -117.049
flat angles P-C4'-P energy: -77.616
tors. eta vs tors. theta energy: -140.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1502.421837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.421837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.421837 (E_RNA)
where:
Base-Base interactions energy: -986.494
where: short stacking energy: -433.752
Base-Backbone interact. energy: 1.136
local terms energy: -517.063418
where:
bonds (distance) C4'-P energy: -106.410
bonds (distance) P-C4' energy: -90.569
flat angles C4'-P-C4' energy: -113.716
flat angles P-C4'-P energy: -86.267
tors. eta vs tors. theta energy: -120.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1430.692710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.692710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.692710 (E_RNA)
where:
Base-Base interactions energy: -956.049
where: short stacking energy: -418.657
Base-Backbone interact. energy: -2.507
local terms energy: -472.136934
where:
bonds (distance) C4'-P energy: -102.300
bonds (distance) P-C4' energy: -94.505
flat angles C4'-P-C4' energy: -114.218
flat angles P-C4'-P energy: -41.388
tors. eta vs tors. theta energy: -119.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1292.634963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.634963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.634963 (E_RNA)
where:
Base-Base interactions energy: -878.022
where: short stacking energy: -379.548
Base-Backbone interact. energy: -1.418
local terms energy: -413.194041
where:
bonds (distance) C4'-P energy: -95.907
bonds (distance) P-C4' energy: -80.450
flat angles C4'-P-C4' energy: -89.411
flat angles P-C4'-P energy: -58.503
tors. eta vs tors. theta energy: -88.923
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: 388
Temperature: 1.250000
Total energy: -1009.561293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.561293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.561293 (E_RNA)
where:
Base-Base interactions energy: -641.846
where: short stacking energy: -272.385
Base-Backbone interact. energy: -1.806
local terms energy: -365.909045
where:
bonds (distance) C4'-P energy: -84.855
bonds (distance) P-C4' energy: -80.706
flat angles C4'-P-C4' energy: -92.594
flat angles P-C4'-P energy: -59.119
tors. eta vs tors. theta energy: -48.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -852.049191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.049191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.049191 (E_RNA)
where:
Base-Base interactions energy: -504.608
where: short stacking energy: -238.490
Base-Backbone interact. energy: -1.301
local terms energy: -346.140399
where:
bonds (distance) C4'-P energy: -82.178
bonds (distance) P-C4' energy: -97.028
flat angles C4'-P-C4' energy: -89.686
flat angles P-C4'-P energy: -41.347
tors. eta vs tors. theta energy: -35.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -459.800768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.800768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.800768 (E_RNA)
where:
Base-Base interactions energy: -170.108
where: short stacking energy: -135.254
Base-Backbone interact. energy: 0.408
local terms energy: -290.100989
where:
bonds (distance) C4'-P energy: -80.821
bonds (distance) P-C4' energy: -105.351
flat angles C4'-P-C4' energy: -59.815
flat angles P-C4'-P energy: -54.285
tors. eta vs tors. theta energy: 10.171
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: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1849.051104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.051104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.051104 (E_RNA)
where:
Base-Base interactions energy: -1270.686
where: short stacking energy: -551.916
Base-Backbone interact. energy: -0.718
local terms energy: -577.647256
where:
bonds (distance) C4'-P energy: -92.488
bonds (distance) P-C4' energy: -117.461
flat angles C4'-P-C4' energy: -122.162
flat angles P-C4'-P energy: -83.263
tors. eta vs tors. theta energy: -162.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1804.548101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.548101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.548101 (E_RNA)
where:
Base-Base interactions energy: -1223.995
where: short stacking energy: -505.343
Base-Backbone interact. energy: -0.736
local terms energy: -579.817935
where:
bonds (distance) C4'-P energy: -98.364
bonds (distance) P-C4' energy: -113.712
flat angles C4'-P-C4' energy: -126.920
flat angles P-C4'-P energy: -85.105
tors. eta vs tors. theta energy: -155.717
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: 5
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1716.521957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.521957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.521957 (E_RNA)
where:
Base-Base interactions energy: -1167.697
where: short stacking energy: -483.938
Base-Backbone interact. energy: -1.627
local terms energy: -547.198214
where:
bonds (distance) C4'-P energy: -99.592
bonds (distance) P-C4' energy: -115.410
flat angles C4'-P-C4' energy: -119.372
flat angles P-C4'-P energy: -81.131
tors. eta vs tors. theta energy: -131.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1643.554799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.554799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.554799 (E_RNA)
where:
Base-Base interactions energy: -1125.564
where: short stacking energy: -503.247
Base-Backbone interact. energy: 0.092
local terms energy: -518.082522
where:
bonds (distance) C4'-P energy: -100.773
bonds (distance) P-C4' energy: -95.965
flat angles C4'-P-C4' energy: -104.824
flat angles P-C4'-P energy: -67.415
tors. eta vs tors. theta energy: -149.104
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: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1483.124108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.124108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.124108 (E_RNA)
where:
Base-Base interactions energy: -982.208
where: short stacking energy: -431.755
Base-Backbone interact. energy: -1.988
local terms energy: -498.928522
where:
bonds (distance) C4'-P energy: -85.991
bonds (distance) P-C4' energy: -106.694
flat angles C4'-P-C4' energy: -107.141
flat angles P-C4'-P energy: -75.645
tors. eta vs tors. theta energy: -123.458
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: 1
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1411.741096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.741096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.741096 (E_RNA)
where:
Base-Base interactions energy: -942.235
where: short stacking energy: -422.551
Base-Backbone interact. energy: -2.160
local terms energy: -467.345259
where:
bonds (distance) C4'-P energy: -92.074
bonds (distance) P-C4' energy: -101.344
flat angles C4'-P-C4' energy: -109.340
flat angles P-C4'-P energy: -62.679
tors. eta vs tors. theta energy: -101.908
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: 389
Temperature: 1.200000
Total energy: -1249.674911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.674911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.674911 (E_RNA)
where:
Base-Base interactions energy: -829.178
where: short stacking energy: -350.385
Base-Backbone interact. energy: -2.182
local terms energy: -418.315152
where:
bonds (distance) C4'-P energy: -97.736
bonds (distance) P-C4' energy: -78.742
flat angles C4'-P-C4' energy: -88.962
flat angles P-C4'-P energy: -67.579
tors. eta vs tors. theta energy: -85.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -984.839394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.839394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.839394 (E_RNA)
where:
Base-Base interactions energy: -613.312
where: short stacking energy: -272.901
Base-Backbone interact. energy: 5.215
local terms energy: -376.742812
where:
bonds (distance) C4'-P energy: -87.978
bonds (distance) P-C4' energy: -92.538
flat angles C4'-P-C4' energy: -95.373
flat angles P-C4'-P energy: -51.845
tors. eta vs tors. theta energy: -49.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -811.618239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.618239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.618239 (E_RNA)
where:
Base-Base interactions energy: -489.522
where: short stacking energy: -229.698
Base-Backbone interact. energy: 3.551
local terms energy: -325.647782
where:
bonds (distance) C4'-P energy: -76.229
bonds (distance) P-C4' energy: -89.137
flat angles C4'-P-C4' energy: -78.312
flat angles P-C4'-P energy: -61.857
tors. eta vs tors. theta energy: -20.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -447.084289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.084289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.084289 (E_RNA)
where:
Base-Base interactions energy: -165.407
where: short stacking energy: -125.072
Base-Backbone interact. energy: -0.703
local terms energy: -280.973734
where:
bonds (distance) C4'-P energy: -75.811
bonds (distance) P-C4' energy: -105.900
flat angles C4'-P-C4' energy: -78.739
flat angles P-C4'-P energy: -48.494
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: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1865.919978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.919978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.919978 (E_RNA)
where:
Base-Base interactions energy: -1271.519
where: short stacking energy: -574.193
Base-Backbone interact. energy: -1.713
local terms energy: -592.687982
where:
bonds (distance) C4'-P energy: -107.230
bonds (distance) P-C4' energy: -106.675
flat angles C4'-P-C4' energy: -121.612
flat angles P-C4'-P energy: -83.774
tors. eta vs tors. theta energy: -173.398
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: 7
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1772.578617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.578617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.578617 (E_RNA)
where:
Base-Base interactions energy: -1221.718
where: short stacking energy: -522.355
Base-Backbone interact. energy: 0.335
local terms energy: -551.195283
where:
bonds (distance) C4'-P energy: -96.405
bonds (distance) P-C4' energy: -107.484
flat angles C4'-P-C4' energy: -113.166
flat angles P-C4'-P energy: -87.700
tors. eta vs tors. theta energy: -146.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1710.014206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.014206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.014206 (E_RNA)
where:
Base-Base interactions energy: -1172.284
where: short stacking energy: -520.211
Base-Backbone interact. energy: -4.585
local terms energy: -533.145480
where:
bonds (distance) C4'-P energy: -92.802
bonds (distance) P-C4' energy: -99.958
flat angles C4'-P-C4' energy: -119.525
flat angles P-C4'-P energy: -69.322
tors. eta vs tors. theta energy: -151.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1603.339117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.339117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.339117 (E_RNA)
where:
Base-Base interactions energy: -1075.012
where: short stacking energy: -464.198
Base-Backbone interact. energy: -1.636
local terms energy: -526.691181
where:
bonds (distance) C4'-P energy: -87.092
bonds (distance) P-C4' energy: -113.322
flat angles C4'-P-C4' energy: -114.326
flat angles P-C4'-P energy: -75.182
tors. eta vs tors. theta energy: -136.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1468.539885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.539885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.539885 (E_RNA)
where:
Base-Base interactions energy: -979.238
where: short stacking energy: -437.382
Base-Backbone interact. energy: -1.898
local terms energy: -487.403928
where:
bonds (distance) C4'-P energy: -108.007
bonds (distance) P-C4' energy: -91.227
flat angles C4'-P-C4' energy: -111.287
flat angles P-C4'-P energy: -55.429
tors. eta vs tors. theta energy: -121.453
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: 6, replica: 1
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1396.508355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.508355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.508355 (E_RNA)
where:
Base-Base interactions energy: -935.594
where: short stacking energy: -424.579
Base-Backbone interact. energy: -1.941
local terms energy: -458.973253
where:
bonds (distance) C4'-P energy: -92.596
bonds (distance) P-C4' energy: -92.549
flat angles C4'-P-C4' energy: -97.622
flat angles P-C4'-P energy: -68.828
tors. eta vs tors. theta energy: -107.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1320.003894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.003894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.003894 (E_RNA)
where:
Base-Base interactions energy: -921.099
where: short stacking energy: -367.813
Base-Backbone interact. energy: 2.009
local terms energy: -400.913702
where:
bonds (distance) C4'-P energy: -89.238
bonds (distance) P-C4' energy: -87.724
flat angles C4'-P-C4' energy: -95.640
flat angles P-C4'-P energy: -56.442
tors. eta vs tors. theta energy: -71.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -972.464608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.464608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.464608 (E_RNA)
where:
Base-Base interactions energy: -616.997
where: short stacking energy: -287.198
Base-Backbone interact. energy: -0.707
local terms energy: -354.759867
where:
bonds (distance) C4'-P energy: -79.255
bonds (distance) P-C4' energy: -87.438
flat angles C4'-P-C4' energy: -95.457
flat angles P-C4'-P energy: -52.858
tors. eta vs tors. theta energy: -39.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -808.670639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.670639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.670639 (E_RNA)
where:
Base-Base interactions energy: -489.521
where: short stacking energy: -234.984
Base-Backbone interact. energy: 3.229
local terms energy: -322.378426
where:
bonds (distance) C4'-P energy: -92.583
bonds (distance) P-C4' energy: -76.702
flat angles C4'-P-C4' energy: -73.627
flat angles P-C4'-P energy: -58.852
tors. eta vs tors. theta energy: -20.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -440.736630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.736630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.736630 (E_RNA)
where:
Base-Base interactions energy: -175.653
where: short stacking energy: -124.213
Base-Backbone interact. energy: 2.197
local terms energy: -267.280715
where:
bonds (distance) C4'-P energy: -58.673
bonds (distance) P-C4' energy: -93.067
flat angles C4'-P-C4' energy: -81.182
flat angles P-C4'-P energy: -36.424
tors. eta vs tors. theta energy: 2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1857.946759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.946759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.946759 (E_RNA)
where:
Base-Base interactions energy: -1272.871
where: short stacking energy: -547.250
Base-Backbone interact. energy: -1.238
local terms energy: -583.837547
where:
bonds (distance) C4'-P energy: -98.843
bonds (distance) P-C4' energy: -116.897
flat angles C4'-P-C4' energy: -125.974
flat angles P-C4'-P energy: -81.580
tors. eta vs tors. theta energy: -160.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1795.238586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.238586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.238586 (E_RNA)
where:
Base-Base interactions energy: -1251.802
where: short stacking energy: -544.817
Base-Backbone interact. energy: -3.441
local terms energy: -539.996447
where:
bonds (distance) C4'-P energy: -89.841
bonds (distance) P-C4' energy: -107.694
flat angles C4'-P-C4' energy: -109.185
flat angles P-C4'-P energy: -79.278
tors. eta vs tors. theta energy: -153.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1718.991277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.991277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.991277 (E_RNA)
where:
Base-Base interactions energy: -1171.835
where: short stacking energy: -499.850
Base-Backbone interact. energy: -0.242
local terms energy: -546.914964
where:
bonds (distance) C4'-P energy: -113.374
bonds (distance) P-C4' energy: -106.144
flat angles C4'-P-C4' energy: -110.545
flat angles P-C4'-P energy: -69.608
tors. eta vs tors. theta energy: -147.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1598.969570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.969570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.969570 (E_RNA)
where:
Base-Base interactions energy: -1072.462
where: short stacking energy: -452.085
Base-Backbone interact. energy: 0.418
local terms energy: -526.925696
where:
bonds (distance) C4'-P energy: -92.460
bonds (distance) P-C4' energy: -110.001
flat angles C4'-P-C4' energy: -123.023
flat angles P-C4'-P energy: -71.642
tors. eta vs tors. theta energy: -129.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1497.029937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.029937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.029937 (E_RNA)
where:
Base-Base interactions energy: -1009.901
where: short stacking energy: -435.690
Base-Backbone interact. energy: -2.218
local terms energy: -484.911488
where:
bonds (distance) C4'-P energy: -109.651
bonds (distance) P-C4' energy: -94.584
flat angles C4'-P-C4' energy: -110.485
flat angles P-C4'-P energy: -63.490
tors. eta vs tors. theta energy: -106.701
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: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1399.231751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.231751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.231751 (E_RNA)
where:
Base-Base interactions energy: -938.087
where: short stacking energy: -413.393
Base-Backbone interact. energy: -1.564
local terms energy: -459.580678
where:
bonds (distance) C4'-P energy: -87.307
bonds (distance) P-C4' energy: -91.602
flat angles C4'-P-C4' energy: -105.131
flat angles P-C4'-P energy: -57.472
tors. eta vs tors. theta energy: -118.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1330.998200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.998200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.998200 (E_RNA)
where:
Base-Base interactions energy: -881.583
where: short stacking energy: -359.269
Base-Backbone interact. energy: -1.730
local terms energy: -447.685397
where:
bonds (distance) C4'-P energy: -89.146
bonds (distance) P-C4' energy: -104.918
flat angles C4'-P-C4' energy: -100.261
flat angles P-C4'-P energy: -63.981
tors. eta vs tors. theta energy: -89.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -987.554826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.554826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.554826 (E_RNA)
where:
Base-Base interactions energy: -630.220
where: short stacking energy: -271.417
Base-Backbone interact. energy: -0.799
local terms energy: -356.535519
where:
bonds (distance) C4'-P energy: -89.030
bonds (distance) P-C4' energy: -73.266
flat angles C4'-P-C4' energy: -96.848
flat angles P-C4'-P energy: -48.253
tors. eta vs tors. theta energy: -49.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -845.752165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.752165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.752165 (E_RNA)
where:
Base-Base interactions energy: -486.774
where: short stacking energy: -220.579
Base-Backbone interact. energy: -1.897
local terms energy: -357.081068
where:
bonds (distance) C4'-P energy: -92.641
bonds (distance) P-C4' energy: -80.286
flat angles C4'-P-C4' energy: -95.670
flat angles P-C4'-P energy: -60.476
tors. eta vs tors. theta energy: -28.008
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: 391
Temperature: 1.350000
Total energy: -462.120706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.120706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.120706 (E_RNA)
where:
Base-Base interactions energy: -190.551
where: short stacking energy: -157.371
Base-Backbone interact. energy: 0.142
local terms energy: -271.711652
where:
bonds (distance) C4'-P energy: -98.395
bonds (distance) P-C4' energy: -62.791
flat angles C4'-P-C4' energy: -66.278
flat angles P-C4'-P energy: -49.739
tors. eta vs tors. theta energy: 5.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1872.462165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.462165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.462165 (E_RNA)
where:
Base-Base interactions energy: -1271.919
where: short stacking energy: -571.246
Base-Backbone interact. energy: -1.870
local terms energy: -598.672709
where:
bonds (distance) C4'-P energy: -108.940
bonds (distance) P-C4' energy: -95.612
flat angles C4'-P-C4' energy: -132.805
flat angles P-C4'-P energy: -95.400
tors. eta vs tors. theta energy: -165.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1735.164397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.164397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.164397 (E_RNA)
where:
Base-Base interactions energy: -1165.770
where: short stacking energy: -504.396
Base-Backbone interact. energy: -4.842
local terms energy: -564.552313
where:
bonds (distance) C4'-P energy: -110.073
bonds (distance) P-C4' energy: -99.989
flat angles C4'-P-C4' energy: -123.284
flat angles P-C4'-P energy: -84.723
tors. eta vs tors. theta energy: -146.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1727.249254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.249254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.249254 (E_RNA)
where:
Base-Base interactions energy: -1189.995
where: short stacking energy: -517.113
Base-Backbone interact. energy: -2.329
local terms energy: -534.925406
where:
bonds (distance) C4'-P energy: -97.949
bonds (distance) P-C4' energy: -94.663
flat angles C4'-P-C4' energy: -108.717
flat angles P-C4'-P energy: -78.953
tors. eta vs tors. theta energy: -154.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1585.910129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.910129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.910129 (E_RNA)
where:
Base-Base interactions energy: -1056.087
where: short stacking energy: -458.065
Base-Backbone interact. energy: -1.871
local terms energy: -527.952180
where:
bonds (distance) C4'-P energy: -95.365
bonds (distance) P-C4' energy: -104.688
flat angles C4'-P-C4' energy: -118.788
flat angles P-C4'-P energy: -84.975
tors. eta vs tors. theta energy: -124.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1503.531455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.531455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.531455 (E_RNA)
where:
Base-Base interactions energy: -994.228
where: short stacking energy: -421.631
Base-Backbone interact. energy: -1.766
local terms energy: -507.536769
where:
bonds (distance) C4'-P energy: -94.963
bonds (distance) P-C4' energy: -106.521
flat angles C4'-P-C4' energy: -114.028
flat angles P-C4'-P energy: -72.460
tors. eta vs tors. theta energy: -119.565
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: 392
Temperature: 1.150000
Total energy: -1442.337196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.337196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.337196 (E_RNA)
where:
Base-Base interactions energy: -979.066
where: short stacking energy: -432.387
Base-Backbone interact. energy: -5.608
local terms energy: -457.663186
where:
bonds (distance) C4'-P energy: -87.894
bonds (distance) P-C4' energy: -89.938
flat angles C4'-P-C4' energy: -103.069
flat angles P-C4'-P energy: -76.312
tors. eta vs tors. theta energy: -100.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1316.044512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.044512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.044512 (E_RNA)
where:
Base-Base interactions energy: -881.957
where: short stacking energy: -363.644
Base-Backbone interact. energy: 6.852
local terms energy: -440.939429
where:
bonds (distance) C4'-P energy: -95.778
bonds (distance) P-C4' energy: -93.823
flat angles C4'-P-C4' energy: -109.395
flat angles P-C4'-P energy: -57.843
tors. eta vs tors. theta energy: -84.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -982.171610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.171610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.171610 (E_RNA)
where:
Base-Base interactions energy: -594.799
where: short stacking energy: -283.539
Base-Backbone interact. energy: -0.248
local terms energy: -387.124525
where:
bonds (distance) C4'-P energy: -82.423
bonds (distance) P-C4' energy: -100.774
flat angles C4'-P-C4' energy: -81.059
flat angles P-C4'-P energy: -70.249
tors. eta vs tors. theta energy: -52.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -845.879937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.879937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.879937 (E_RNA)
where:
Base-Base interactions energy: -489.621
where: short stacking energy: -229.311
Base-Backbone interact. energy: -1.110
local terms energy: -355.149008
where:
bonds (distance) C4'-P energy: -83.922
bonds (distance) P-C4' energy: -99.718
flat angles C4'-P-C4' energy: -78.142
flat angles P-C4'-P energy: -63.369
tors. eta vs tors. theta energy: -29.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -425.309899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.309899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.309899 (E_RNA)
where:
Base-Base interactions energy: -121.031
where: short stacking energy: -98.279
Base-Backbone interact. energy: 4.277
local terms energy: -308.556697
where:
bonds (distance) C4'-P energy: -79.357
bonds (distance) P-C4' energy: -92.981
flat angles C4'-P-C4' energy: -95.595
flat angles P-C4'-P energy: -54.726
tors. eta vs tors. theta energy: 14.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1871.291353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.291353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.291353 (E_RNA)
where:
Base-Base interactions energy: -1280.989
where: short stacking energy: -575.590
Base-Backbone interact. energy: -1.736
local terms energy: -588.565527
where:
bonds (distance) C4'-P energy: -88.404
bonds (distance) P-C4' energy: -120.004
flat angles C4'-P-C4' energy: -131.005
flat angles P-C4'-P energy: -85.212
tors. eta vs tors. theta energy: -163.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1773.313549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.313549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.313549 (E_RNA)
where:
Base-Base interactions energy: -1223.008
where: short stacking energy: -510.079
Base-Backbone interact. energy: 1.665
local terms energy: -551.970548
where:
bonds (distance) C4'-P energy: -99.434
bonds (distance) P-C4' energy: -117.047
flat angles C4'-P-C4' energy: -103.921
flat angles P-C4'-P energy: -79.964
tors. eta vs tors. theta energy: -151.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1679.132013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.132013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.132013 (E_RNA)
where:
Base-Base interactions energy: -1152.434
where: short stacking energy: -501.176
Base-Backbone interact. energy: -1.803
local terms energy: -524.894600
where:
bonds (distance) C4'-P energy: -111.678
bonds (distance) P-C4' energy: -100.480
flat angles C4'-P-C4' energy: -104.747
flat angles P-C4'-P energy: -75.980
tors. eta vs tors. theta energy: -132.010
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: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1603.663185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.663185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.663185 (E_RNA)
where:
Base-Base interactions energy: -1056.739
where: short stacking energy: -461.033
Base-Backbone interact. energy: -1.099
local terms energy: -545.825826
where:
bonds (distance) C4'-P energy: -99.321
bonds (distance) P-C4' energy: -104.377
flat angles C4'-P-C4' energy: -119.026
flat angles P-C4'-P energy: -82.421
tors. eta vs tors. theta energy: -140.680
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: 5, replica: 9
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1449.963724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.963724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.963724 (E_RNA)
where:
Base-Base interactions energy: -985.023
where: short stacking energy: -403.852
Base-Backbone interact. energy: -1.039
local terms energy: -463.901790
where:
bonds (distance) C4'-P energy: -97.557
bonds (distance) P-C4' energy: -106.224
flat angles C4'-P-C4' energy: -88.293
flat angles P-C4'-P energy: -74.431
tors. eta vs tors. theta energy: -97.397
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: 6, replica: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1358.872955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.872955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.872955 (E_RNA)
where:
Base-Base interactions energy: -896.608
where: short stacking energy: -378.726
Base-Backbone interact. energy: -2.237
local terms energy: -460.027787
where:
bonds (distance) C4'-P energy: -97.420
bonds (distance) P-C4' energy: -102.372
flat angles C4'-P-C4' energy: -92.184
flat angles P-C4'-P energy: -69.923
tors. eta vs tors. theta energy: -98.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1275.929422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.929422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.929422 (E_RNA)
where:
Base-Base interactions energy: -844.294
where: short stacking energy: -333.931
Base-Backbone interact. energy: 0.456
local terms energy: -432.091622
where:
bonds (distance) C4'-P energy: -94.219
bonds (distance) P-C4' energy: -98.370
flat angles C4'-P-C4' energy: -89.869
flat angles P-C4'-P energy: -70.827
tors. eta vs tors. theta energy: -78.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -961.115798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.115798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.115798 (E_RNA)
where:
Base-Base interactions energy: -625.384
where: short stacking energy: -294.810
Base-Backbone interact. energy: -1.363
local terms energy: -334.369140
where:
bonds (distance) C4'-P energy: -71.044
bonds (distance) P-C4' energy: -79.878
flat angles C4'-P-C4' energy: -84.597
flat angles P-C4'-P energy: -60.270
tors. eta vs tors. theta energy: -38.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -886.871304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.871304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.871304 (E_RNA)
where:
Base-Base interactions energy: -532.672
where: short stacking energy: -264.079
Base-Backbone interact. energy: -1.140
local terms energy: -353.058932
where:
bonds (distance) C4'-P energy: -74.254
bonds (distance) P-C4' energy: -85.468
flat angles C4'-P-C4' energy: -87.635
flat angles P-C4'-P energy: -61.402
tors. eta vs tors. theta energy: -44.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -434.672421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.672421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.672421 (E_RNA)
where:
Base-Base interactions energy: -134.632
where: short stacking energy: -117.725
Base-Backbone interact. energy: -1.545
local terms energy: -298.495986
where:
bonds (distance) C4'-P energy: -97.744
bonds (distance) P-C4' energy: -93.963
flat angles C4'-P-C4' energy: -57.518
flat angles P-C4'-P energy: -64.266
tors. eta vs tors. theta energy: 14.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1864.954556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.954556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.954556 (E_RNA)
where:
Base-Base interactions energy: -1273.831
where: short stacking energy: -572.150
Base-Backbone interact. energy: -0.518
local terms energy: -590.604912
where:
bonds (distance) C4'-P energy: -106.334
bonds (distance) P-C4' energy: -109.011
flat angles C4'-P-C4' energy: -129.972
flat angles P-C4'-P energy: -88.401
tors. eta vs tors. theta energy: -156.886
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: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1794.049093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.049093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.049093 (E_RNA)
where:
Base-Base interactions energy: -1221.175
where: short stacking energy: -524.023
Base-Backbone interact. energy: -4.952
local terms energy: -567.922018
where:
bonds (distance) C4'-P energy: -110.433
bonds (distance) P-C4' energy: -107.586
flat angles C4'-P-C4' energy: -118.603
flat angles P-C4'-P energy: -69.117
tors. eta vs tors. theta energy: -162.183
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: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1726.304303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.304303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.304303 (E_RNA)
where:
Base-Base interactions energy: -1171.540
where: short stacking energy: -500.226
Base-Backbone interact. energy: -0.119
local terms energy: -554.645537
where:
bonds (distance) C4'-P energy: -103.220
bonds (distance) P-C4' energy: -111.250
flat angles C4'-P-C4' energy: -108.266
flat angles P-C4'-P energy: -81.738
tors. eta vs tors. theta energy: -150.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1578.037065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.037065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.037065 (E_RNA)
where:
Base-Base interactions energy: -1050.414
where: short stacking energy: -435.084
Base-Backbone interact. energy: -1.711
local terms energy: -525.912390
where:
bonds (distance) C4'-P energy: -102.932
bonds (distance) P-C4' energy: -111.610
flat angles C4'-P-C4' energy: -112.421
flat angles P-C4'-P energy: -76.401
tors. eta vs tors. theta energy: -122.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1468.492103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.492103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.492103 (E_RNA)
where:
Base-Base interactions energy: -983.554
where: short stacking energy: -402.987
Base-Backbone interact. energy: -2.325
local terms energy: -482.613020
where:
bonds (distance) C4'-P energy: -91.884
bonds (distance) P-C4' energy: -107.570
flat angles C4'-P-C4' energy: -104.052
flat angles P-C4'-P energy: -70.721
tors. eta vs tors. theta energy: -108.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1407.509898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.509898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.509898 (E_RNA)
where:
Base-Base interactions energy: -953.988
where: short stacking energy: -410.763
Base-Backbone interact. energy: 0.157
local terms energy: -453.678378
where:
bonds (distance) C4'-P energy: -87.059
bonds (distance) P-C4' energy: -92.395
flat angles C4'-P-C4' energy: -93.307
flat angles P-C4'-P energy: -74.991
tors. eta vs tors. theta energy: -105.926
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: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1223.960047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.960047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.960047 (E_RNA)
where:
Base-Base interactions energy: -802.329
where: short stacking energy: -360.950
Base-Backbone interact. energy: 1.420
local terms energy: -423.050984
where:
bonds (distance) C4'-P energy: -91.806
bonds (distance) P-C4' energy: -96.522
flat angles C4'-P-C4' energy: -98.308
flat angles P-C4'-P energy: -56.473
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: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -985.581229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.581229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.581229 (E_RNA)
where:
Base-Base interactions energy: -598.908
where: short stacking energy: -285.013
Base-Backbone interact. energy: -2.406
local terms energy: -384.267952
where:
bonds (distance) C4'-P energy: -87.072
bonds (distance) P-C4' energy: -95.118
flat angles C4'-P-C4' energy: -95.947
flat angles P-C4'-P energy: -46.106
tors. eta vs tors. theta energy: -60.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -859.464865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.464865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.464865 (E_RNA)
where:
Base-Base interactions energy: -521.004
where: short stacking energy: -246.435
Base-Backbone interact. energy: 3.716
local terms energy: -342.177008
where:
bonds (distance) C4'-P energy: -93.711
bonds (distance) P-C4' energy: -63.010
flat angles C4'-P-C4' energy: -81.780
flat angles P-C4'-P energy: -58.388
tors. eta vs tors. theta energy: -45.287
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: 394
Temperature: 1.350000
Total energy: -430.024008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.024008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.024008 (E_RNA)
where:
Base-Base interactions energy: -153.425
where: short stacking energy: -136.040
Base-Backbone interact. energy: 0.100
local terms energy: -276.698402
where:
bonds (distance) C4'-P energy: -90.041
bonds (distance) P-C4' energy: -82.266
flat angles C4'-P-C4' energy: -63.505
flat angles P-C4'-P energy: -55.530
tors. eta vs tors. theta energy: 14.644
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: 395
Temperature: 0.900000
Total energy: -1875.374494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.374494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.374494 (E_RNA)
where:
Base-Base interactions energy: -1295.891
where: short stacking energy: -582.082
Base-Backbone interact. energy: -0.860
local terms energy: -578.622822
where:
bonds (distance) C4'-P energy: -90.815
bonds (distance) P-C4' energy: -118.823
flat angles C4'-P-C4' energy: -120.941
flat angles P-C4'-P energy: -81.679
tors. eta vs tors. theta energy: -166.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1737.196932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.196932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.196932 (E_RNA)
where:
Base-Base interactions energy: -1192.227
where: short stacking energy: -501.862
Base-Backbone interact. energy: -2.783
local terms energy: -542.187796
where:
bonds (distance) C4'-P energy: -111.184
bonds (distance) P-C4' energy: -95.800
flat angles C4'-P-C4' energy: -110.750
flat angles P-C4'-P energy: -84.889
tors. eta vs tors. theta energy: -139.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1750.276753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.276753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.276753 (E_RNA)
where:
Base-Base interactions energy: -1200.075
where: short stacking energy: -539.685
Base-Backbone interact. energy: -3.870
local terms energy: -546.332403
where:
bonds (distance) C4'-P energy: -92.513
bonds (distance) P-C4' energy: -105.180
flat angles C4'-P-C4' energy: -115.080
flat angles P-C4'-P energy: -75.669
tors. eta vs tors. theta energy: -157.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1589.115653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.115653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.115653 (E_RNA)
where:
Base-Base interactions energy: -1059.626
where: short stacking energy: -443.446
Base-Backbone interact. energy: -0.147
local terms energy: -529.342554
where:
bonds (distance) C4'-P energy: -91.547
bonds (distance) P-C4' energy: -99.639
flat angles C4'-P-C4' energy: -113.587
flat angles P-C4'-P energy: -84.169
tors. eta vs tors. theta energy: -140.400
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: 395
Temperature: 1.100000
Total energy: -1476.005593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.005593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.005593 (E_RNA)
where:
Base-Base interactions energy: -1007.273
where: short stacking energy: -427.905
Base-Backbone interact. energy: -3.553
local terms energy: -465.179145
where:
bonds (distance) C4'-P energy: -90.486
bonds (distance) P-C4' energy: -88.645
flat angles C4'-P-C4' energy: -110.990
flat angles P-C4'-P energy: -63.987
tors. eta vs tors. theta energy: -111.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1406.972010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.972010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.972010 (E_RNA)
where:
Base-Base interactions energy: -963.722
where: short stacking energy: -411.550
Base-Backbone interact. energy: 2.284
local terms energy: -445.534679
where:
bonds (distance) C4'-P energy: -88.583
bonds (distance) P-C4' energy: -98.538
flat angles C4'-P-C4' energy: -96.834
flat angles P-C4'-P energy: -60.519
tors. eta vs tors. theta energy: -101.061
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: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1231.527485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.527485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.527485 (E_RNA)
where:
Base-Base interactions energy: -808.998
where: short stacking energy: -356.417
Base-Backbone interact. energy: -3.009
local terms energy: -419.520550
where:
bonds (distance) C4'-P energy: -87.735
bonds (distance) P-C4' energy: -81.538
flat angles C4'-P-C4' energy: -88.351
flat angles P-C4'-P energy: -71.965
tors. eta vs tors. theta energy: -89.930
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: 395
Temperature: 1.250000
Total energy: -972.683936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.683936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.683936 (E_RNA)
where:
Base-Base interactions energy: -586.754
where: short stacking energy: -279.761
Base-Backbone interact. energy: 2.037
local terms energy: -387.967377
where:
bonds (distance) C4'-P energy: -84.665
bonds (distance) P-C4' energy: -88.204
flat angles C4'-P-C4' energy: -108.194
flat angles P-C4'-P energy: -69.329
tors. eta vs tors. theta energy: -37.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -857.001133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.001133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.001133 (E_RNA)
where:
Base-Base interactions energy: -481.634
where: short stacking energy: -248.289
Base-Backbone interact. energy: 3.624
local terms energy: -378.991555
where:
bonds (distance) C4'-P energy: -109.229
bonds (distance) P-C4' energy: -86.069
flat angles C4'-P-C4' energy: -87.499
flat angles P-C4'-P energy: -60.297
tors. eta vs tors. theta energy: -35.898
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: 10, replica: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -426.584044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.584044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.584044 (E_RNA)
where:
Base-Base interactions energy: -162.068
where: short stacking energy: -115.250
Base-Backbone interact. energy: 0.772
local terms energy: -265.288486
where:
bonds (distance) C4'-P energy: -80.491
bonds (distance) P-C4' energy: -84.128
flat angles C4'-P-C4' energy: -69.141
flat angles P-C4'-P energy: -47.330
tors. eta vs tors. theta energy: 15.802
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: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1854.823061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.823061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.823061 (E_RNA)
where:
Base-Base interactions energy: -1246.602
where: short stacking energy: -573.291
Base-Backbone interact. energy: -2.387
local terms energy: -605.833896
where:
bonds (distance) C4'-P energy: -112.460
bonds (distance) P-C4' energy: -115.881
flat angles C4'-P-C4' energy: -121.774
flat angles P-C4'-P energy: -85.835
tors. eta vs tors. theta energy: -169.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1770.548474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.548474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.548474 (E_RNA)
where:
Base-Base interactions energy: -1210.349
where: short stacking energy: -515.559
Base-Backbone interact. energy: -4.620
local terms energy: -555.579434
where:
bonds (distance) C4'-P energy: -111.112
bonds (distance) P-C4' energy: -104.996
flat angles C4'-P-C4' energy: -113.198
flat angles P-C4'-P energy: -77.620
tors. eta vs tors. theta energy: -148.654
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: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1712.455134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.455134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.455134 (E_RNA)
where:
Base-Base interactions energy: -1163.553
where: short stacking energy: -512.630
Base-Backbone interact. energy: -0.864
local terms energy: -548.038634
where:
bonds (distance) C4'-P energy: -103.394
bonds (distance) P-C4' energy: -102.846
flat angles C4'-P-C4' energy: -106.621
flat angles P-C4'-P energy: -80.923
tors. eta vs tors. theta energy: -154.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1584.348900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.348900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.348900 (E_RNA)
where:
Base-Base interactions energy: -1070.769
where: short stacking energy: -479.849
Base-Backbone interact. energy: -0.182
local terms energy: -513.398148
where:
bonds (distance) C4'-P energy: -113.514
bonds (distance) P-C4' energy: -93.994
flat angles C4'-P-C4' energy: -109.012
flat angles P-C4'-P energy: -68.950
tors. eta vs tors. theta energy: -127.928
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: 9
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1435.391932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.391932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.391932 (E_RNA)
where:
Base-Base interactions energy: -966.989
where: short stacking energy: -401.507
Base-Backbone interact. energy: -2.849
local terms energy: -465.554502
where:
bonds (distance) C4'-P energy: -92.093
bonds (distance) P-C4' energy: -110.046
flat angles C4'-P-C4' energy: -103.295
flat angles P-C4'-P energy: -63.802
tors. eta vs tors. theta energy: -96.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1398.230923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.230923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.230923 (E_RNA)
where:
Base-Base interactions energy: -949.966
where: short stacking energy: -422.694
Base-Backbone interact. energy: -1.565
local terms energy: -446.699946
where:
bonds (distance) C4'-P energy: -93.797
bonds (distance) P-C4' energy: -93.112
flat angles C4'-P-C4' energy: -90.352
flat angles P-C4'-P energy: -64.369
tors. eta vs tors. theta energy: -105.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1287.514811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.514811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.514811 (E_RNA)
where:
Base-Base interactions energy: -843.892
where: short stacking energy: -352.892
Base-Backbone interact. energy: 2.397
local terms energy: -446.019942
where:
bonds (distance) C4'-P energy: -84.635
bonds (distance) P-C4' energy: -100.237
flat angles C4'-P-C4' energy: -102.899
flat angles P-C4'-P energy: -72.052
tors. eta vs tors. theta energy: -86.196
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: 3
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1040.110475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.110475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.110475 (E_RNA)
where:
Base-Base interactions energy: -664.890
where: short stacking energy: -301.291
Base-Backbone interact. energy: -0.845
local terms energy: -374.375653
where:
bonds (distance) C4'-P energy: -75.222
bonds (distance) P-C4' energy: -86.846
flat angles C4'-P-C4' energy: -99.926
flat angles P-C4'-P energy: -61.016
tors. eta vs tors. theta energy: -51.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -925.377810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.377810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.377810 (E_RNA)
where:
Base-Base interactions energy: -561.090
where: short stacking energy: -267.436
Base-Backbone interact. energy: -0.832
local terms energy: -363.455401
where:
bonds (distance) C4'-P energy: -98.536
bonds (distance) P-C4' energy: -89.709
flat angles C4'-P-C4' energy: -72.227
flat angles P-C4'-P energy: -52.270
tors. eta vs tors. theta energy: -50.715
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: 396
Temperature: 1.350000
Total energy: -405.800889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.800889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.800889 (E_RNA)
where:
Base-Base interactions energy: -118.914
where: short stacking energy: -99.086
Base-Backbone interact. energy: 2.735
local terms energy: -289.621320
where:
bonds (distance) C4'-P energy: -69.246
bonds (distance) P-C4' energy: -90.625
flat angles C4'-P-C4' energy: -85.194
flat angles P-C4'-P energy: -58.772
tors. eta vs tors. theta energy: 14.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1870.480712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.480712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.480712 (E_RNA)
where:
Base-Base interactions energy: -1286.376
where: short stacking energy: -586.177
Base-Backbone interact. energy: -1.872
local terms energy: -582.232575
where:
bonds (distance) C4'-P energy: -94.037
bonds (distance) P-C4' energy: -116.161
flat angles C4'-P-C4' energy: -135.234
flat angles P-C4'-P energy: -67.396
tors. eta vs tors. theta energy: -169.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1807.755057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.755057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.755057 (E_RNA)
where:
Base-Base interactions energy: -1245.979
where: short stacking energy: -523.819
Base-Backbone interact. energy: -1.360
local terms energy: -560.416091
where:
bonds (distance) C4'-P energy: -105.454
bonds (distance) P-C4' energy: -98.741
flat angles C4'-P-C4' energy: -129.150
flat angles P-C4'-P energy: -77.002
tors. eta vs tors. theta energy: -150.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1698.230346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.230346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.230346 (E_RNA)
where:
Base-Base interactions energy: -1162.903
where: short stacking energy: -510.483
Base-Backbone interact. energy: -1.422
local terms energy: -533.905325
where:
bonds (distance) C4'-P energy: -94.088
bonds (distance) P-C4' energy: -97.293
flat angles C4'-P-C4' energy: -117.814
flat angles P-C4'-P energy: -78.839
tors. eta vs tors. theta energy: -145.872
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: 6
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1618.046394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.046394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.046394 (E_RNA)
where:
Base-Base interactions energy: -1101.619
where: short stacking energy: -490.741
Base-Backbone interact. energy: -0.275
local terms energy: -516.152551
where:
bonds (distance) C4'-P energy: -86.834
bonds (distance) P-C4' energy: -97.204
flat angles C4'-P-C4' energy: -105.302
flat angles P-C4'-P energy: -82.243
tors. eta vs tors. theta energy: -144.569
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: 5, replica: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1447.569824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.569824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.569824 (E_RNA)
where:
Base-Base interactions energy: -963.589
where: short stacking energy: -434.248
Base-Backbone interact. energy: -0.474
local terms energy: -483.507437
where:
bonds (distance) C4'-P energy: -105.629
bonds (distance) P-C4' energy: -87.420
flat angles C4'-P-C4' energy: -115.576
flat angles P-C4'-P energy: -72.667
tors. eta vs tors. theta energy: -102.215
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: 1
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1457.241057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.241057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.241057 (E_RNA)
where:
Base-Base interactions energy: -975.596
where: short stacking energy: -420.042
Base-Backbone interact. energy: 1.168
local terms energy: -482.812465
where:
bonds (distance) C4'-P energy: -94.368
bonds (distance) P-C4' energy: -109.213
flat angles C4'-P-C4' energy: -94.893
flat angles P-C4'-P energy: -78.849
tors. eta vs tors. theta energy: -105.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1284.200510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.200510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.200510 (E_RNA)
where:
Base-Base interactions energy: -846.990
where: short stacking energy: -372.317
Base-Backbone interact. energy: 2.668
local terms energy: -439.877869
where:
bonds (distance) C4'-P energy: -90.190
bonds (distance) P-C4' energy: -105.069
flat angles C4'-P-C4' energy: -94.404
flat angles P-C4'-P energy: -62.707
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: 8, replica: 8
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -948.449081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.449081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.449081 (E_RNA)
where:
Base-Base interactions energy: -580.368
where: short stacking energy: -285.540
Base-Backbone interact. energy: 0.291
local terms energy: -368.371350
where:
bonds (distance) C4'-P energy: -94.792
bonds (distance) P-C4' energy: -76.547
flat angles C4'-P-C4' energy: -91.467
flat angles P-C4'-P energy: -45.397
tors. eta vs tors. theta energy: -60.169
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: 3
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -974.568824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.568824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.568824 (E_RNA)
where:
Base-Base interactions energy: -618.755
where: short stacking energy: -286.169
Base-Backbone interact. energy: -0.130
local terms energy: -355.683735
where:
bonds (distance) C4'-P energy: -71.810
bonds (distance) P-C4' energy: -99.798
flat angles C4'-P-C4' energy: -83.829
flat angles P-C4'-P energy: -48.999
tors. eta vs tors. theta energy: -51.249
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: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -423.842308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.842308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.842308 (E_RNA)
where:
Base-Base interactions energy: -162.634
where: short stacking energy: -117.704
Base-Backbone interact. energy: -3.926
local terms energy: -257.281589
where:
bonds (distance) C4'-P energy: -86.787
bonds (distance) P-C4' energy: -92.817
flat angles C4'-P-C4' energy: -62.908
flat angles P-C4'-P energy: -40.664
tors. eta vs tors. theta energy: 25.893
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: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1896.420491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.420491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.420491 (E_RNA)
where:
Base-Base interactions energy: -1274.134
where: short stacking energy: -567.069
Base-Backbone interact. energy: -5.205
local terms energy: -617.081301
where:
bonds (distance) C4'-P energy: -106.414
bonds (distance) P-C4' energy: -114.308
flat angles C4'-P-C4' energy: -121.533
flat angles P-C4'-P energy: -100.601
tors. eta vs tors. theta energy: -174.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1789.692769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.692769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.692769 (E_RNA)
where:
Base-Base interactions energy: -1220.889
where: short stacking energy: -512.395
Base-Backbone interact. energy: -3.057
local terms energy: -565.747024
where:
bonds (distance) C4'-P energy: -104.336
bonds (distance) P-C4' energy: -113.460
flat angles C4'-P-C4' energy: -119.088
flat angles P-C4'-P energy: -81.666
tors. eta vs tors. theta energy: -147.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1696.960032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.960032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.960032 (E_RNA)
where:
Base-Base interactions energy: -1153.444
where: short stacking energy: -494.562
Base-Backbone interact. energy: -1.579
local terms energy: -541.936626
where:
bonds (distance) C4'-P energy: -99.669
bonds (distance) P-C4' energy: -109.646
flat angles C4'-P-C4' energy: -112.505
flat angles P-C4'-P energy: -73.249
tors. eta vs tors. theta energy: -146.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1593.124529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.124529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.124529 (E_RNA)
where:
Base-Base interactions energy: -1076.416
where: short stacking energy: -490.172
Base-Backbone interact. energy: -2.344
local terms energy: -514.364090
where:
bonds (distance) C4'-P energy: -86.716
bonds (distance) P-C4' energy: -100.498
flat angles C4'-P-C4' energy: -107.994
flat angles P-C4'-P energy: -82.349
tors. eta vs tors. theta energy: -136.807
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: 398
Temperature: 1.100000
Total energy: -1487.037919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.037919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.037919 (E_RNA)
where:
Base-Base interactions energy: -990.833
where: short stacking energy: -433.088
Base-Backbone interact. energy: -0.649
local terms energy: -495.555512
where:
bonds (distance) C4'-P energy: -100.766
bonds (distance) P-C4' energy: -101.615
flat angles C4'-P-C4' energy: -110.307
flat angles P-C4'-P energy: -67.605
tors. eta vs tors. theta energy: -115.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1413.668474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.668474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.668474 (E_RNA)
where:
Base-Base interactions energy: -948.326
where: short stacking energy: -400.477
Base-Backbone interact. energy: -2.976
local terms energy: -462.366864
where:
bonds (distance) C4'-P energy: -87.091
bonds (distance) P-C4' energy: -105.928
flat angles C4'-P-C4' energy: -96.104
flat angles P-C4'-P energy: -64.043
tors. eta vs tors. theta energy: -109.201
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: 4
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1287.234585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.234585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.234585 (E_RNA)
where:
Base-Base interactions energy: -859.776
where: short stacking energy: -364.424
Base-Backbone interact. energy: -0.363
local terms energy: -427.095296
where:
bonds (distance) C4'-P energy: -90.951
bonds (distance) P-C4' energy: -92.493
flat angles C4'-P-C4' energy: -88.056
flat angles P-C4'-P energy: -66.149
tors. eta vs tors. theta energy: -89.446
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: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -954.542034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.542034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.542034 (E_RNA)
where:
Base-Base interactions energy: -586.906
where: short stacking energy: -269.101
Base-Backbone interact. energy: -2.301
local terms energy: -365.335014
where:
bonds (distance) C4'-P energy: -92.368
bonds (distance) P-C4' energy: -92.559
flat angles C4'-P-C4' energy: -91.930
flat angles P-C4'-P energy: -45.010
tors. eta vs tors. theta energy: -43.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -1029.074587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.074587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.074587 (E_RNA)
where:
Base-Base interactions energy: -660.857
where: short stacking energy: -284.071
Base-Backbone interact. energy: 0.458
local terms energy: -368.675664
where:
bonds (distance) C4'-P energy: -93.144
bonds (distance) P-C4' energy: -79.325
flat angles C4'-P-C4' energy: -94.408
flat angles P-C4'-P energy: -44.233
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: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -400.867250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.867250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.867250 (E_RNA)
where:
Base-Base interactions energy: -122.601
where: short stacking energy: -97.411
Base-Backbone interact. energy: -1.016
local terms energy: -277.250628
where:
bonds (distance) C4'-P energy: -95.489
bonds (distance) P-C4' energy: -85.730
flat angles C4'-P-C4' energy: -70.966
flat angles P-C4'-P energy: -47.594
tors. eta vs tors. theta energy: 22.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1871.832607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.832607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.832607 (E_RNA)
where:
Base-Base interactions energy: -1274.941
where: short stacking energy: -579.480
Base-Backbone interact. energy: -2.624
local terms energy: -594.268047
where:
bonds (distance) C4'-P energy: -106.035
bonds (distance) P-C4' energy: -111.337
flat angles C4'-P-C4' energy: -120.707
flat angles P-C4'-P energy: -91.833
tors. eta vs tors. theta energy: -164.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1777.092397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.092397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.092397 (E_RNA)
where:
Base-Base interactions energy: -1210.954
where: short stacking energy: -514.295
Base-Backbone interact. energy: -1.671
local terms energy: -564.467201
where:
bonds (distance) C4'-P energy: -107.982
bonds (distance) P-C4' energy: -111.826
flat angles C4'-P-C4' energy: -117.428
flat angles P-C4'-P energy: -69.605
tors. eta vs tors. theta energy: -157.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1700.724941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.724941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.724941 (E_RNA)
where:
Base-Base interactions energy: -1137.873
where: short stacking energy: -499.312
Base-Backbone interact. energy: -1.499
local terms energy: -561.353618
where:
bonds (distance) C4'-P energy: -103.676
bonds (distance) P-C4' energy: -115.518
flat angles C4'-P-C4' energy: -103.943
flat angles P-C4'-P energy: -88.072
tors. eta vs tors. theta energy: -150.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1590.246868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.246868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.246868 (E_RNA)
where:
Base-Base interactions energy: -1067.285
where: short stacking energy: -469.479
Base-Backbone interact. energy: -0.816
local terms energy: -522.145386
where:
bonds (distance) C4'-P energy: -94.831
bonds (distance) P-C4' energy: -101.121
flat angles C4'-P-C4' energy: -116.164
flat angles P-C4'-P energy: -74.504
tors. eta vs tors. theta energy: -135.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1483.508276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.508276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.508276 (E_RNA)
where:
Base-Base interactions energy: -1001.042
where: short stacking energy: -451.704
Base-Backbone interact. energy: -1.622
local terms energy: -480.844336
where:
bonds (distance) C4'-P energy: -84.562
bonds (distance) P-C4' energy: -95.861
flat angles C4'-P-C4' energy: -109.394
flat angles P-C4'-P energy: -71.244
tors. eta vs tors. theta energy: -119.783
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: 399
Temperature: 1.150000
Total energy: -1472.661010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.661010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.661010 (E_RNA)
where:
Base-Base interactions energy: -1038.088
where: short stacking energy: -431.263
Base-Backbone interact. energy: -0.429
local terms energy: -434.143898
where:
bonds (distance) C4'-P energy: -84.589
bonds (distance) P-C4' energy: -97.311
flat angles C4'-P-C4' energy: -95.720
flat angles P-C4'-P energy: -56.617
tors. eta vs tors. theta energy: -99.907
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: 4
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1307.970974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.970974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.970974 (E_RNA)
where:
Base-Base interactions energy: -886.016
where: short stacking energy: -392.002
Base-Backbone interact. energy: -1.935
local terms energy: -420.020631
where:
bonds (distance) C4'-P energy: -74.478
bonds (distance) P-C4' energy: -85.522
flat angles C4'-P-C4' energy: -101.064
flat angles P-C4'-P energy: -54.781
tors. eta vs tors. theta energy: -104.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1055.145686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.145686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.145686 (E_RNA)
where:
Base-Base interactions energy: -656.707
where: short stacking energy: -304.478
Base-Backbone interact. energy: 0.502
local terms energy: -398.940783
where:
bonds (distance) C4'-P energy: -100.848
bonds (distance) P-C4' energy: -86.951
flat angles C4'-P-C4' energy: -90.070
flat angles P-C4'-P energy: -63.020
tors. eta vs tors. theta energy: -58.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -940.682633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.682633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.682633 (E_RNA)
where:
Base-Base interactions energy: -557.802
where: short stacking energy: -254.875
Base-Backbone interact. energy: 0.345
local terms energy: -383.225663
where:
bonds (distance) C4'-P energy: -105.918
bonds (distance) P-C4' energy: -87.989
flat angles C4'-P-C4' energy: -84.982
flat angles P-C4'-P energy: -61.511
tors. eta vs tors. theta energy: -42.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -432.352500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.352500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.352500 (E_RNA)
where:
Base-Base interactions energy: -170.278
where: short stacking energy: -108.537
Base-Backbone interact. energy: 0.056
local terms energy: -262.130914
where:
bonds (distance) C4'-P energy: -99.116
bonds (distance) P-C4' energy: -78.755
flat angles C4'-P-C4' energy: -76.735
flat angles P-C4'-P energy: -23.026
tors. eta vs tors. theta energy: 15.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1869.486685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.486685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.486685 (E_RNA)
where:
Base-Base interactions energy: -1278.829
where: short stacking energy: -586.942
Base-Backbone interact. energy: -4.224
local terms energy: -586.434158
where:
bonds (distance) C4'-P energy: -105.826
bonds (distance) P-C4' energy: -105.887
flat angles C4'-P-C4' energy: -123.640
flat angles P-C4'-P energy: -80.022
tors. eta vs tors. theta energy: -171.059
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: 2, replica: 7
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1758.091437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.091437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.091437 (E_RNA)
where:
Base-Base interactions energy: -1211.899
where: short stacking energy: -515.123
Base-Backbone interact. energy: -5.299
local terms energy: -540.893126
where:
bonds (distance) C4'-P energy: -91.487
bonds (distance) P-C4' energy: -104.853
flat angles C4'-P-C4' energy: -124.479
flat angles P-C4'-P energy: -78.382
tors. eta vs tors. theta energy: -141.692
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: 3, replica: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1702.603591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.603591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.603591 (E_RNA)
where:
Base-Base interactions energy: -1160.626
where: short stacking energy: -497.220
Base-Backbone interact. energy: -0.230
local terms energy: -541.748211
where:
bonds (distance) C4'-P energy: -102.101
bonds (distance) P-C4' energy: -91.609
flat angles C4'-P-C4' energy: -125.173
flat angles P-C4'-P energy: -82.388
tors. eta vs tors. theta energy: -140.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1589.846105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.846105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.846105 (E_RNA)
where:
Base-Base interactions energy: -1065.671
where: short stacking energy: -450.462
Base-Backbone interact. energy: -1.469
local terms energy: -522.705607
where:
bonds (distance) C4'-P energy: -95.295
bonds (distance) P-C4' energy: -110.093
flat angles C4'-P-C4' energy: -105.088
flat angles P-C4'-P energy: -77.650
tors. eta vs tors. theta energy: -134.580
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: 1
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1486.878967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.878967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.878967 (E_RNA)
where:
Base-Base interactions energy: -984.625
where: short stacking energy: -410.328
Base-Backbone interact. energy: -1.954
local terms energy: -500.299680
where:
bonds (distance) C4'-P energy: -106.258
bonds (distance) P-C4' energy: -93.896
flat angles C4'-P-C4' energy: -116.062
flat angles P-C4'-P energy: -68.533
tors. eta vs tors. theta energy: -115.551
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: 9
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1437.218840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.218840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.218840 (E_RNA)
where:
Base-Base interactions energy: -981.751
where: short stacking energy: -439.592
Base-Backbone interact. energy: 7.004
local terms energy: -462.471885
where:
bonds (distance) C4'-P energy: -84.818
bonds (distance) P-C4' energy: -100.761
flat angles C4'-P-C4' energy: -100.938
flat angles P-C4'-P energy: -59.920
tors. eta vs tors. theta energy: -116.035
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: 400
Temperature: 1.200000
Total energy: -1260.758084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.758084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.758084 (E_RNA)
where:
Base-Base interactions energy: -826.244
where: short stacking energy: -367.881
Base-Backbone interact. energy: -2.210
local terms energy: -432.304802
where:
bonds (distance) C4'-P energy: -89.116
bonds (distance) P-C4' energy: -110.324
flat angles C4'-P-C4' energy: -96.970
flat angles P-C4'-P energy: -60.964
tors. eta vs tors. theta energy: -74.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1016.203603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.203603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.203603 (E_RNA)
where:
Base-Base interactions energy: -629.062
where: short stacking energy: -292.336
Base-Backbone interact. energy: 0.121
local terms energy: -387.262545
where:
bonds (distance) C4'-P energy: -96.099
bonds (distance) P-C4' energy: -88.907
flat angles C4'-P-C4' energy: -102.181
flat angles P-C4'-P energy: -59.737
tors. eta vs tors. theta energy: -40.337
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: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -907.598936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.598936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.598936 (E_RNA)
where:
Base-Base interactions energy: -548.422
where: short stacking energy: -255.891
Base-Backbone interact. energy: -2.048
local terms energy: -357.129488
where:
bonds (distance) C4'-P energy: -82.326
bonds (distance) P-C4' energy: -78.780
flat angles C4'-P-C4' energy: -99.185
flat angles P-C4'-P energy: -64.486
tors. eta vs tors. theta energy: -32.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -498.611618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.611618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.611618 (E_RNA)
where:
Base-Base interactions energy: -207.632
where: short stacking energy: -176.650
Base-Backbone interact. energy: 5.118
local terms energy: -296.097746
where:
bonds (distance) C4'-P energy: -90.848
bonds (distance) P-C4' energy: -89.299
flat angles C4'-P-C4' energy: -64.690
flat angles P-C4'-P energy: -39.486
tors. eta vs tors. theta energy: -11.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1859.993482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.993482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.993482 (E_RNA)
where:
Base-Base interactions energy: -1250.589
where: short stacking energy: -565.023
Base-Backbone interact. energy: -1.535
local terms energy: -607.869311
where:
bonds (distance) C4'-P energy: -109.316
bonds (distance) P-C4' energy: -112.632
flat angles C4'-P-C4' energy: -116.099
flat angles P-C4'-P energy: -93.230
tors. eta vs tors. theta energy: -176.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1757.339592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.339592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.339592 (E_RNA)
where:
Base-Base interactions energy: -1202.673
where: short stacking energy: -511.098
Base-Backbone interact. energy: -1.842
local terms energy: -552.824554
where:
bonds (distance) C4'-P energy: -95.539
bonds (distance) P-C4' energy: -102.775
flat angles C4'-P-C4' energy: -125.550
flat angles P-C4'-P energy: -78.352
tors. eta vs tors. theta energy: -150.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1708.651046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.651046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.651046 (E_RNA)
where:
Base-Base interactions energy: -1167.289
where: short stacking energy: -509.855
Base-Backbone interact. energy: -2.446
local terms energy: -538.915190
where:
bonds (distance) C4'-P energy: -90.186
bonds (distance) P-C4' energy: -105.225
flat angles C4'-P-C4' energy: -112.707
flat angles P-C4'-P energy: -88.744
tors. eta vs tors. theta energy: -142.053
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: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1564.820224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.820224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.820224 (E_RNA)
where:
Base-Base interactions energy: -1051.968
where: short stacking energy: -441.797
Base-Backbone interact. energy: -0.264
local terms energy: -512.588202
where:
bonds (distance) C4'-P energy: -111.115
bonds (distance) P-C4' energy: -102.223
flat angles C4'-P-C4' energy: -110.939
flat angles P-C4'-P energy: -66.002
tors. eta vs tors. theta energy: -122.309
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: 5, replica: 1
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1501.885762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.885762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.885762 (E_RNA)
where:
Base-Base interactions energy: -989.759
where: short stacking energy: -452.231
Base-Backbone interact. energy: -3.719
local terms energy: -508.408534
where:
bonds (distance) C4'-P energy: -101.571
bonds (distance) P-C4' energy: -109.975
flat angles C4'-P-C4' energy: -99.728
flat angles P-C4'-P energy: -75.250
tors. eta vs tors. theta energy: -121.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1419.181078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.181078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.181078 (E_RNA)
where:
Base-Base interactions energy: -957.961
where: short stacking energy: -401.353
Base-Backbone interact. energy: 3.088
local terms energy: -464.307756
where:
bonds (distance) C4'-P energy: -73.234
bonds (distance) P-C4' energy: -106.559
flat angles C4'-P-C4' energy: -103.377
flat angles P-C4'-P energy: -70.261
tors. eta vs tors. theta energy: -110.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1294.394637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.394637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.394637 (E_RNA)
where:
Base-Base interactions energy: -844.996
where: short stacking energy: -357.799
Base-Backbone interact. energy: -4.637
local terms energy: -444.761776
where:
bonds (distance) C4'-P energy: -95.129
bonds (distance) P-C4' energy: -109.140
flat angles C4'-P-C4' energy: -101.528
flat angles P-C4'-P energy: -62.840
tors. eta vs tors. theta energy: -76.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1009.738727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.738727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.738727 (E_RNA)
where:
Base-Base interactions energy: -631.523
where: short stacking energy: -295.221
Base-Backbone interact. energy: -1.359
local terms energy: -376.857195
where:
bonds (distance) C4'-P energy: -101.604
bonds (distance) P-C4' energy: -75.192
flat angles C4'-P-C4' energy: -93.997
flat angles P-C4'-P energy: -58.077
tors. eta vs tors. theta energy: -47.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -928.651156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.651156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.651156 (E_RNA)
where:
Base-Base interactions energy: -591.950
where: short stacking energy: -256.953
Base-Backbone interact. energy: -2.007
local terms energy: -334.693868
where:
bonds (distance) C4'-P energy: -76.512
bonds (distance) P-C4' energy: -87.153
flat angles C4'-P-C4' energy: -82.811
flat angles P-C4'-P energy: -58.794
tors. eta vs tors. theta energy: -29.423
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: 401
Temperature: 1.350000
Total energy: -429.287254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.287254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.287254 (E_RNA)
where:
Base-Base interactions energy: -133.567
where: short stacking energy: -124.559
Base-Backbone interact. energy: -2.933
local terms energy: -292.787727
where:
bonds (distance) C4'-P energy: -87.766
bonds (distance) P-C4' energy: -96.423
flat angles C4'-P-C4' energy: -70.606
flat angles P-C4'-P energy: -56.144
tors. eta vs tors. theta energy: 18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1875.297383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.297383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.297383 (E_RNA)
where:
Base-Base interactions energy: -1257.478
where: short stacking energy: -556.364
Base-Backbone interact. energy: -2.501
local terms energy: -615.318392
where:
bonds (distance) C4'-P energy: -107.496
bonds (distance) P-C4' energy: -115.537
flat angles C4'-P-C4' energy: -136.264
flat angles P-C4'-P energy: -91.493
tors. eta vs tors. theta energy: -164.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1798.811158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.811158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.811158 (E_RNA)
where:
Base-Base interactions energy: -1221.765
where: short stacking energy: -516.630
Base-Backbone interact. energy: -2.268
local terms energy: -574.778354
where:
bonds (distance) C4'-P energy: -118.865
bonds (distance) P-C4' energy: -113.003
flat angles C4'-P-C4' energy: -117.992
flat angles P-C4'-P energy: -75.946
tors. eta vs tors. theta energy: -148.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1683.496559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.496559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.496559 (E_RNA)
where:
Base-Base interactions energy: -1130.403
where: short stacking energy: -510.581
Base-Backbone interact. energy: -0.817
local terms energy: -552.276957
where:
bonds (distance) C4'-P energy: -100.339
bonds (distance) P-C4' energy: -102.781
flat angles C4'-P-C4' energy: -110.459
flat angles P-C4'-P energy: -79.912
tors. eta vs tors. theta energy: -158.786
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: 6
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1596.490628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.490628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.490628 (E_RNA)
where:
Base-Base interactions energy: -1087.920
where: short stacking energy: -482.345
Base-Backbone interact. energy: -1.172
local terms energy: -507.398323
where:
bonds (distance) C4'-P energy: -88.668
bonds (distance) P-C4' energy: -95.797
flat angles C4'-P-C4' energy: -109.633
flat angles P-C4'-P energy: -77.280
tors. eta vs tors. theta energy: -136.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1507.402288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.402288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.402288 (E_RNA)
where:
Base-Base interactions energy: -1038.373
where: short stacking energy: -466.182
Base-Backbone interact. energy: -1.619
local terms energy: -467.410284
where:
bonds (distance) C4'-P energy: -91.903
bonds (distance) P-C4' energy: -92.259
flat angles C4'-P-C4' energy: -91.317
flat angles P-C4'-P energy: -69.896
tors. eta vs tors. theta energy: -122.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1400.326414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.326414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.326414 (E_RNA)
where:
Base-Base interactions energy: -964.579
where: short stacking energy: -408.562
Base-Backbone interact. energy: 0.442
local terms energy: -436.189690
where:
bonds (distance) C4'-P energy: -98.218
bonds (distance) P-C4' energy: -87.001
flat angles C4'-P-C4' energy: -94.286
flat angles P-C4'-P energy: -57.882
tors. eta vs tors. theta energy: -98.803
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: 4
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1246.537855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.537855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.537855 (E_RNA)
where:
Base-Base interactions energy: -817.588
where: short stacking energy: -338.398
Base-Backbone interact. energy: -3.544
local terms energy: -425.406233
where:
bonds (distance) C4'-P energy: -83.198
bonds (distance) P-C4' energy: -99.106
flat angles C4'-P-C4' energy: -96.499
flat angles P-C4'-P energy: -62.016
tors. eta vs tors. theta energy: -84.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1020.264075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.264075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.264075 (E_RNA)
where:
Base-Base interactions energy: -626.687
where: short stacking energy: -283.123
Base-Backbone interact. energy: -0.956
local terms energy: -392.621549
where:
bonds (distance) C4'-P energy: -72.810
bonds (distance) P-C4' energy: -100.467
flat angles C4'-P-C4' energy: -109.751
flat angles P-C4'-P energy: -65.145
tors. eta vs tors. theta energy: -44.450
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: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -874.357294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.357294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.357294 (E_RNA)
where:
Base-Base interactions energy: -543.855
where: short stacking energy: -256.782
Base-Backbone interact. energy: -2.166
local terms energy: -328.336517
where:
bonds (distance) C4'-P energy: -97.039
bonds (distance) P-C4' energy: -89.187
flat angles C4'-P-C4' energy: -80.638
flat angles P-C4'-P energy: -30.926
tors. eta vs tors. theta energy: -30.547
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: 402
Temperature: 1.350000
Total energy: -449.161812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.161812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.161812 (E_RNA)
where:
Base-Base interactions energy: -161.126
where: short stacking energy: -131.629
Base-Backbone interact. energy: -0.601
local terms energy: -287.434232
where:
bonds (distance) C4'-P energy: -91.928
bonds (distance) P-C4' energy: -83.558
flat angles C4'-P-C4' energy: -75.394
flat angles P-C4'-P energy: -39.010
tors. eta vs tors. theta energy: 2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1831.784517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.784517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.784517 (E_RNA)
where:
Base-Base interactions energy: -1240.854
where: short stacking energy: -573.694
Base-Backbone interact. energy: -3.627
local terms energy: -587.303839
where:
bonds (distance) C4'-P energy: -101.664
bonds (distance) P-C4' energy: -102.684
flat angles C4'-P-C4' energy: -125.577
flat angles P-C4'-P energy: -91.683
tors. eta vs tors. theta energy: -165.696
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: 7
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1785.900616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.900616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.900616 (E_RNA)
where:
Base-Base interactions energy: -1217.405
where: short stacking energy: -518.437
Base-Backbone interact. energy: 1.372
local terms energy: -569.867633
where:
bonds (distance) C4'-P energy: -86.677
bonds (distance) P-C4' energy: -117.924
flat angles C4'-P-C4' energy: -128.764
flat angles P-C4'-P energy: -76.049
tors. eta vs tors. theta energy: -160.453
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: 403
Temperature: 1.000000
Total energy: -1707.479199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.479199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.479199 (E_RNA)
where:
Base-Base interactions energy: -1168.106
where: short stacking energy: -515.107
Base-Backbone interact. energy: 0.208
local terms energy: -539.581287
where:
bonds (distance) C4'-P energy: -101.775
bonds (distance) P-C4' energy: -107.152
flat angles C4'-P-C4' energy: -111.378
flat angles P-C4'-P energy: -67.487
tors. eta vs tors. theta energy: -151.789
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: 4, replica: 6
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1621.026633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.026633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.026633 (E_RNA)
where:
Base-Base interactions energy: -1106.301
where: short stacking energy: -478.711
Base-Backbone interact. energy: -1.976
local terms energy: -512.749688
where:
bonds (distance) C4'-P energy: -105.487
bonds (distance) P-C4' energy: -108.644
flat angles C4'-P-C4' energy: -109.535
flat angles P-C4'-P energy: -64.595
tors. eta vs tors. theta energy: -124.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1481.794446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.794446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.794446 (E_RNA)
where:
Base-Base interactions energy: -1019.448
where: short stacking energy: -438.226
Base-Backbone interact. energy: -2.184
local terms energy: -460.161616
where:
bonds (distance) C4'-P energy: -82.229
bonds (distance) P-C4' energy: -96.581
flat angles C4'-P-C4' energy: -109.707
flat angles P-C4'-P energy: -54.761
tors. eta vs tors. theta energy: -116.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1397.474960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.474960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.474960 (E_RNA)
where:
Base-Base interactions energy: -931.600
where: short stacking energy: -392.193
Base-Backbone interact. energy: -1.258
local terms energy: -464.616898
where:
bonds (distance) C4'-P energy: -82.262
bonds (distance) P-C4' energy: -104.905
flat angles C4'-P-C4' energy: -99.085
flat angles P-C4'-P energy: -73.423
tors. eta vs tors. theta energy: -104.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1237.139523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.139523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.139523 (E_RNA)
where:
Base-Base interactions energy: -797.281
where: short stacking energy: -340.549
Base-Backbone interact. energy: -1.726
local terms energy: -438.131712
where:
bonds (distance) C4'-P energy: -83.418
bonds (distance) P-C4' energy: -105.986
flat angles C4'-P-C4' energy: -97.050
flat angles P-C4'-P energy: -63.298
tors. eta vs tors. theta energy: -88.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1031.960792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.960792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.960792 (E_RNA)
where:
Base-Base interactions energy: -627.556
where: short stacking energy: -267.345
Base-Backbone interact. energy: -2.551
local terms energy: -401.853682
where:
bonds (distance) C4'-P energy: -77.164
bonds (distance) P-C4' energy: -106.100
flat angles C4'-P-C4' energy: -99.491
flat angles P-C4'-P energy: -72.897
tors. eta vs tors. theta energy: -46.201
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: 9, replica: 8
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -914.618952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.618952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.618952 (E_RNA)
where:
Base-Base interactions energy: -567.365
where: short stacking energy: -262.778
Base-Backbone interact. energy: -1.156
local terms energy: -346.098734
where:
bonds (distance) C4'-P energy: -87.496
bonds (distance) P-C4' energy: -63.997
flat angles C4'-P-C4' energy: -89.799
flat angles P-C4'-P energy: -55.257
tors. eta vs tors. theta energy: -49.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -451.422322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.422322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.422322 (E_RNA)
where:
Base-Base interactions energy: -194.607
where: short stacking energy: -142.858
Base-Backbone interact. energy: 0.452
local terms energy: -257.266931
where:
bonds (distance) C4'-P energy: -81.701
bonds (distance) P-C4' energy: -84.505
flat angles C4'-P-C4' energy: -53.680
flat angles P-C4'-P energy: -53.292
tors. eta vs tors. theta energy: 15.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1841.346784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.346784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.346784 (E_RNA)
where:
Base-Base interactions energy: -1275.850
where: short stacking energy: -584.248
Base-Backbone interact. energy: 1.249
local terms energy: -566.745441
where:
bonds (distance) C4'-P energy: -88.356
bonds (distance) P-C4' energy: -111.203
flat angles C4'-P-C4' energy: -115.079
flat angles P-C4'-P energy: -82.244
tors. eta vs tors. theta energy: -169.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1751.271456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.271456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.271456 (E_RNA)
where:
Base-Base interactions energy: -1200.063
where: short stacking energy: -523.628
Base-Backbone interact. energy: -4.745
local terms energy: -546.463445
where:
bonds (distance) C4'-P energy: -109.095
bonds (distance) P-C4' energy: -102.374
flat angles C4'-P-C4' energy: -116.066
flat angles P-C4'-P energy: -76.677
tors. eta vs tors. theta energy: -142.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1696.975158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.975158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.975158 (E_RNA)
where:
Base-Base interactions energy: -1156.249
where: short stacking energy: -500.855
Base-Backbone interact. energy: -0.859
local terms energy: -539.867596
where:
bonds (distance) C4'-P energy: -103.793
bonds (distance) P-C4' energy: -112.712
flat angles C4'-P-C4' energy: -112.594
flat angles P-C4'-P energy: -75.328
tors. eta vs tors. theta energy: -135.440
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: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1628.565917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.565917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.565917 (E_RNA)
where:
Base-Base interactions energy: -1091.474
where: short stacking energy: -477.838
Base-Backbone interact. energy: 0.047
local terms energy: -537.138801
where:
bonds (distance) C4'-P energy: -107.731
bonds (distance) P-C4' energy: -105.780
flat angles C4'-P-C4' energy: -113.777
flat angles P-C4'-P energy: -73.582
tors. eta vs tors. theta energy: -136.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1475.450537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.450537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.450537 (E_RNA)
where:
Base-Base interactions energy: -981.155
where: short stacking energy: -420.245
Base-Backbone interact. energy: -1.449
local terms energy: -492.846747
where:
bonds (distance) C4'-P energy: -90.341
bonds (distance) P-C4' energy: -119.618
flat angles C4'-P-C4' energy: -104.089
flat angles P-C4'-P energy: -69.525
tors. eta vs tors. theta energy: -109.273
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: 404
Temperature: 1.150000
Total energy: -1449.110349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.110349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.110349 (E_RNA)
where:
Base-Base interactions energy: -970.883
where: short stacking energy: -454.549
Base-Backbone interact. energy: 3.843
local terms energy: -482.070483
where:
bonds (distance) C4'-P energy: -97.125
bonds (distance) P-C4' energy: -90.907
flat angles C4'-P-C4' energy: -105.751
flat angles P-C4'-P energy: -65.460
tors. eta vs tors. theta energy: -122.827
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: 7, replica: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1265.388346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.388346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.388346 (E_RNA)
where:
Base-Base interactions energy: -841.436
where: short stacking energy: -353.323
Base-Backbone interact. energy: -3.141
local terms energy: -420.811635
where:
bonds (distance) C4'-P energy: -80.101
bonds (distance) P-C4' energy: -103.757
flat angles C4'-P-C4' energy: -94.462
flat angles P-C4'-P energy: -64.305
tors. eta vs tors. theta energy: -78.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1015.502243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.502243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.502243 (E_RNA)
where:
Base-Base interactions energy: -639.808
where: short stacking energy: -265.629
Base-Backbone interact. energy: -2.641
local terms energy: -373.053946
where:
bonds (distance) C4'-P energy: -99.403
bonds (distance) P-C4' energy: -85.397
flat angles C4'-P-C4' energy: -93.517
flat angles P-C4'-P energy: -50.776
tors. eta vs tors. theta energy: -43.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -859.538281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.538281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.538281 (E_RNA)
where:
Base-Base interactions energy: -525.093
where: short stacking energy: -220.412
Base-Backbone interact. energy: -1.907
local terms energy: -332.537814
where:
bonds (distance) C4'-P energy: -80.032
bonds (distance) P-C4' energy: -94.496
flat angles C4'-P-C4' energy: -80.381
flat angles P-C4'-P energy: -56.233
tors. eta vs tors. theta energy: -21.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -470.720447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.720447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.720447 (E_RNA)
where:
Base-Base interactions energy: -212.545
where: short stacking energy: -136.460
Base-Backbone interact. energy: 5.865
local terms energy: -264.041092
where:
bonds (distance) C4'-P energy: -75.136
bonds (distance) P-C4' energy: -85.393
flat angles C4'-P-C4' energy: -80.225
flat angles P-C4'-P energy: -48.673
tors. eta vs tors. theta energy: 25.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1872.456314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.456314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.456314 (E_RNA)
where:
Base-Base interactions energy: -1261.070
where: short stacking energy: -565.396
Base-Backbone interact. energy: -0.478
local terms energy: -610.907914
where:
bonds (distance) C4'-P energy: -109.485
bonds (distance) P-C4' energy: -114.033
flat angles C4'-P-C4' energy: -124.881
flat angles P-C4'-P energy: -88.625
tors. eta vs tors. theta energy: -173.884
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: 7
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1743.073037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.073037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.073037 (E_RNA)
where:
Base-Base interactions energy: -1168.006
where: short stacking energy: -517.038
Base-Backbone interact. energy: -0.265
local terms energy: -574.801851
where:
bonds (distance) C4'-P energy: -107.722
bonds (distance) P-C4' energy: -113.628
flat angles C4'-P-C4' energy: -127.015
flat angles P-C4'-P energy: -78.851
tors. eta vs tors. theta energy: -147.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1746.785767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.785767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.785767 (E_RNA)
where:
Base-Base interactions energy: -1179.963
where: short stacking energy: -523.227
Base-Backbone interact. energy: -2.162
local terms energy: -564.660939
where:
bonds (distance) C4'-P energy: -104.378
bonds (distance) P-C4' energy: -99.159
flat angles C4'-P-C4' energy: -119.741
flat angles P-C4'-P energy: -86.819
tors. eta vs tors. theta energy: -154.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1622.435498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.435498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.435498 (E_RNA)
where:
Base-Base interactions energy: -1100.080
where: short stacking energy: -483.027
Base-Backbone interact. energy: -0.666
local terms energy: -521.689948
where:
bonds (distance) C4'-P energy: -95.117
bonds (distance) P-C4' energy: -99.981
flat angles C4'-P-C4' energy: -103.494
flat angles P-C4'-P energy: -75.960
tors. eta vs tors. theta energy: -147.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1490.394315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.394315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.394315 (E_RNA)
where:
Base-Base interactions energy: -1014.427
where: short stacking energy: -438.198
Base-Backbone interact. energy: 0.489
local terms energy: -476.455757
where:
bonds (distance) C4'-P energy: -80.556
bonds (distance) P-C4' energy: -101.990
flat angles C4'-P-C4' energy: -115.264
flat angles P-C4'-P energy: -74.885
tors. eta vs tors. theta energy: -103.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1407.107461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.107461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.107461 (E_RNA)
where:
Base-Base interactions energy: -939.805
where: short stacking energy: -404.050
Base-Backbone interact. energy: 0.394
local terms energy: -467.696911
where:
bonds (distance) C4'-P energy: -88.379
bonds (distance) P-C4' energy: -94.194
flat angles C4'-P-C4' energy: -105.919
flat angles P-C4'-P energy: -71.101
tors. eta vs tors. theta energy: -108.103
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: 4
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1184.328776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.328776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.328776 (E_RNA)
where:
Base-Base interactions energy: -759.405
where: short stacking energy: -326.317
Base-Backbone interact. energy: -2.753
local terms energy: -422.170763
where:
bonds (distance) C4'-P energy: -97.285
bonds (distance) P-C4' energy: -104.294
flat angles C4'-P-C4' energy: -91.974
flat angles P-C4'-P energy: -63.563
tors. eta vs tors. theta energy: -65.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1006.675185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.675185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.675185 (E_RNA)
where:
Base-Base interactions energy: -663.201
where: short stacking energy: -293.248
Base-Backbone interact. energy: 0.655
local terms energy: -344.129138
where:
bonds (distance) C4'-P energy: -71.747
bonds (distance) P-C4' energy: -85.193
flat angles C4'-P-C4' energy: -98.881
flat angles P-C4'-P energy: -50.942
tors. eta vs tors. theta energy: -37.365
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: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -854.020991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.020991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.020991 (E_RNA)
where:
Base-Base interactions energy: -505.659
where: short stacking energy: -231.056
Base-Backbone interact. energy: -0.753
local terms energy: -347.609044
where:
bonds (distance) C4'-P energy: -84.391
bonds (distance) P-C4' energy: -97.868
flat angles C4'-P-C4' energy: -77.982
flat angles P-C4'-P energy: -46.118
tors. eta vs tors. theta energy: -41.251
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: 405
Temperature: 1.350000
Total energy: -518.375497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.375497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.375497 (E_RNA)
where:
Base-Base interactions energy: -265.791
where: short stacking energy: -157.890
Base-Backbone interact. energy: 1.021
local terms energy: -253.605814
where:
bonds (distance) C4'-P energy: -68.853
bonds (distance) P-C4' energy: -73.130
flat angles C4'-P-C4' energy: -81.898
flat angles P-C4'-P energy: -37.295
tors. eta vs tors. theta energy: 7.571
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: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1851.763746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.763746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.763746 (E_RNA)
where:
Base-Base interactions energy: -1244.071
where: short stacking energy: -576.425
Base-Backbone interact. energy: -1.811
local terms energy: -605.882124
where:
bonds (distance) C4'-P energy: -106.198
bonds (distance) P-C4' energy: -106.020
flat angles C4'-P-C4' energy: -127.528
flat angles P-C4'-P energy: -88.504
tors. eta vs tors. theta energy: -177.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1746.686418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.686418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.686418 (E_RNA)
where:
Base-Base interactions energy: -1180.932
where: short stacking energy: -497.274
Base-Backbone interact. energy: -0.196
local terms energy: -565.558076
where:
bonds (distance) C4'-P energy: -103.705
bonds (distance) P-C4' energy: -115.952
flat angles C4'-P-C4' energy: -121.564
flat angles P-C4'-P energy: -82.102
tors. eta vs tors. theta energy: -142.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1655.068966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.068966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.068966 (E_RNA)
where:
Base-Base interactions energy: -1123.670
where: short stacking energy: -490.379
Base-Backbone interact. energy: -4.379
local terms energy: -527.019714
where:
bonds (distance) C4'-P energy: -98.236
bonds (distance) P-C4' energy: -95.461
flat angles C4'-P-C4' energy: -121.539
flat angles P-C4'-P energy: -68.775
tors. eta vs tors. theta energy: -143.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1649.630790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.630790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.630790 (E_RNA)
where:
Base-Base interactions energy: -1122.834
where: short stacking energy: -488.255
Base-Backbone interact. energy: 0.369
local terms energy: -527.166077
where:
bonds (distance) C4'-P energy: -101.549
bonds (distance) P-C4' energy: -105.258
flat angles C4'-P-C4' energy: -120.810
flat angles P-C4'-P energy: -65.976
tors. eta vs tors. theta energy: -133.573
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: 406
Temperature: 1.100000
Total energy: -1489.121660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.121660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.121660 (E_RNA)
where:
Base-Base interactions energy: -1001.074
where: short stacking energy: -436.242
Base-Backbone interact. energy: -1.228
local terms energy: -486.819583
where:
bonds (distance) C4'-P energy: -98.780
bonds (distance) P-C4' energy: -81.265
flat angles C4'-P-C4' energy: -111.976
flat angles P-C4'-P energy: -76.844
tors. eta vs tors. theta energy: -117.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1424.552138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.552138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.552138 (E_RNA)
where:
Base-Base interactions energy: -954.576
where: short stacking energy: -415.941
Base-Backbone interact. energy: -2.256
local terms energy: -467.720661
where:
bonds (distance) C4'-P energy: -76.228
bonds (distance) P-C4' energy: -91.477
flat angles C4'-P-C4' energy: -108.272
flat angles P-C4'-P energy: -79.848
tors. eta vs tors. theta energy: -111.896
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: 406
Temperature: 1.200000
Total energy: -1234.354133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.354133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.354133 (E_RNA)
where:
Base-Base interactions energy: -805.600
where: short stacking energy: -337.979
Base-Backbone interact. energy: 1.733
local terms energy: -430.486500
where:
bonds (distance) C4'-P energy: -86.955
bonds (distance) P-C4' energy: -94.263
flat angles C4'-P-C4' energy: -95.120
flat angles P-C4'-P energy: -56.953
tors. eta vs tors. theta energy: -97.196
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: 3
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1074.783849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.783849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.783849 (E_RNA)
where:
Base-Base interactions energy: -698.494
where: short stacking energy: -297.352
Base-Backbone interact. energy: 4.027
local terms energy: -380.316999
where:
bonds (distance) C4'-P energy: -91.791
bonds (distance) P-C4' energy: -94.245
flat angles C4'-P-C4' energy: -89.427
flat angles P-C4'-P energy: -56.732
tors. eta vs tors. theta energy: -48.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -851.793209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.793209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.793209 (E_RNA)
where:
Base-Base interactions energy: -532.764
where: short stacking energy: -242.864
Base-Backbone interact. energy: -4.122
local terms energy: -314.906952
where:
bonds (distance) C4'-P energy: -67.482
bonds (distance) P-C4' energy: -94.663
flat angles C4'-P-C4' energy: -90.683
flat angles P-C4'-P energy: -47.727
tors. eta vs tors. theta energy: -14.351
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: 406
Temperature: 1.350000
Total energy: -496.147510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.147510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.147510 (E_RNA)
where:
Base-Base interactions energy: -185.010
where: short stacking energy: -121.688
Base-Backbone interact. energy: -2.381
local terms energy: -308.756712
where:
bonds (distance) C4'-P energy: -86.224
bonds (distance) P-C4' energy: -97.682
flat angles C4'-P-C4' energy: -90.540
flat angles P-C4'-P energy: -36.527
tors. eta vs tors. theta energy: 2.217
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: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1868.629549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.629549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.629549 (E_RNA)
where:
Base-Base interactions energy: -1274.852
where: short stacking energy: -567.518
Base-Backbone interact. energy: -2.033
local terms energy: -591.744408
where:
bonds (distance) C4'-P energy: -108.077
bonds (distance) P-C4' energy: -96.193
flat angles C4'-P-C4' energy: -128.471
flat angles P-C4'-P energy: -86.390
tors. eta vs tors. theta energy: -172.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1755.157494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.157494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.157494 (E_RNA)
where:
Base-Base interactions energy: -1187.914
where: short stacking energy: -513.047
Base-Backbone interact. energy: -2.398
local terms energy: -564.845366
where:
bonds (distance) C4'-P energy: -112.302
bonds (distance) P-C4' energy: -108.716
flat angles C4'-P-C4' energy: -114.009
flat angles P-C4'-P energy: -82.988
tors. eta vs tors. theta energy: -146.831
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: 6
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1704.858316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.858316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.858316 (E_RNA)
where:
Base-Base interactions energy: -1134.854
where: short stacking energy: -492.012
Base-Backbone interact. energy: -1.142
local terms energy: -568.862458
where:
bonds (distance) C4'-P energy: -114.179
bonds (distance) P-C4' energy: -101.824
flat angles C4'-P-C4' energy: -124.480
flat angles P-C4'-P energy: -85.072
tors. eta vs tors. theta energy: -143.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1619.347283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.347283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.347283 (E_RNA)
where:
Base-Base interactions energy: -1091.106
where: short stacking energy: -479.500
Base-Backbone interact. energy: 2.336
local terms energy: -530.577265
where:
bonds (distance) C4'-P energy: -93.016
bonds (distance) P-C4' energy: -105.372
flat angles C4'-P-C4' energy: -120.036
flat angles P-C4'-P energy: -73.211
tors. eta vs tors. theta energy: -138.942
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: 5, replica: 1
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1487.366998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.366998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.366998 (E_RNA)
where:
Base-Base interactions energy: -1011.251
where: short stacking energy: -454.315
Base-Backbone interact. energy: -0.434
local terms energy: -475.681303
where:
bonds (distance) C4'-P energy: -93.550
bonds (distance) P-C4' energy: -92.748
flat angles C4'-P-C4' energy: -112.919
flat angles P-C4'-P energy: -61.373
tors. eta vs tors. theta energy: -115.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1420.494516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.494516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.494516 (E_RNA)
where:
Base-Base interactions energy: -956.266
where: short stacking energy: -389.005
Base-Backbone interact. energy: -1.096
local terms energy: -463.132055
where:
bonds (distance) C4'-P energy: -89.208
bonds (distance) P-C4' energy: -88.211
flat angles C4'-P-C4' energy: -112.387
flat angles P-C4'-P energy: -72.765
tors. eta vs tors. theta energy: -100.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1260.646938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.646938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.646938 (E_RNA)
where:
Base-Base interactions energy: -836.864
where: short stacking energy: -349.203
Base-Backbone interact. energy: -0.321
local terms energy: -423.462233
where:
bonds (distance) C4'-P energy: -90.150
bonds (distance) P-C4' energy: -90.251
flat angles C4'-P-C4' energy: -103.566
flat angles P-C4'-P energy: -58.408
tors. eta vs tors. theta energy: -81.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1029.608892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.608892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.608892 (E_RNA)
where:
Base-Base interactions energy: -683.010
where: short stacking energy: -290.661
Base-Backbone interact. energy: -0.338
local terms energy: -346.260440
where:
bonds (distance) C4'-P energy: -72.672
bonds (distance) P-C4' energy: -93.674
flat angles C4'-P-C4' energy: -93.764
flat angles P-C4'-P energy: -36.300
tors. eta vs tors. theta energy: -49.851
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: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -867.072375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.072375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.072375 (E_RNA)
where:
Base-Base interactions energy: -520.174
where: short stacking energy: -222.604
Base-Backbone interact. energy: -0.365
local terms energy: -346.533158
where:
bonds (distance) C4'-P energy: -98.218
bonds (distance) P-C4' energy: -88.224
flat angles C4'-P-C4' energy: -81.589
flat angles P-C4'-P energy: -49.672
tors. eta vs tors. theta energy: -28.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -411.799426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.799426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.799426 (E_RNA)
where:
Base-Base interactions energy: -158.235
where: short stacking energy: -128.250
Base-Backbone interact. energy: -1.497
local terms energy: -252.067414
where:
bonds (distance) C4'-P energy: -78.026
bonds (distance) P-C4' energy: -71.454
flat angles C4'-P-C4' energy: -80.973
flat angles P-C4'-P energy: -33.931
tors. eta vs tors. theta energy: 12.316
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: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1866.105504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.105504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.105504 (E_RNA)
where:
Base-Base interactions energy: -1271.331
where: short stacking energy: -551.732
Base-Backbone interact. energy: -1.360
local terms energy: -593.414218
where:
bonds (distance) C4'-P energy: -103.133
bonds (distance) P-C4' energy: -113.220
flat angles C4'-P-C4' energy: -112.863
flat angles P-C4'-P energy: -93.368
tors. eta vs tors. theta energy: -170.831
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: 2, replica: 7
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1759.324463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.324463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.324463 (E_RNA)
where:
Base-Base interactions energy: -1201.297
where: short stacking energy: -476.598
Base-Backbone interact. energy: -3.593
local terms energy: -554.434213
where:
bonds (distance) C4'-P energy: -111.727
bonds (distance) P-C4' energy: -106.558
flat angles C4'-P-C4' energy: -111.451
flat angles P-C4'-P energy: -87.098
tors. eta vs tors. theta energy: -137.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1648.586951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.586951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.586951 (E_RNA)
where:
Base-Base interactions energy: -1109.274
where: short stacking energy: -492.367
Base-Backbone interact. energy: -1.129
local terms energy: -538.184544
where:
bonds (distance) C4'-P energy: -107.077
bonds (distance) P-C4' energy: -110.154
flat angles C4'-P-C4' energy: -119.170
flat angles P-C4'-P energy: -65.020
tors. eta vs tors. theta energy: -136.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1657.488409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.488409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.488409 (E_RNA)
where:
Base-Base interactions energy: -1157.505
where: short stacking energy: -501.214
Base-Backbone interact. energy: -1.196
local terms energy: -498.787084
where:
bonds (distance) C4'-P energy: -104.146
bonds (distance) P-C4' energy: -96.885
flat angles C4'-P-C4' energy: -98.119
flat angles P-C4'-P energy: -66.543
tors. eta vs tors. theta energy: -133.094
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: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1449.458790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.458790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.458790 (E_RNA)
where:
Base-Base interactions energy: -958.400
where: short stacking energy: -418.732
Base-Backbone interact. energy: 0.780
local terms energy: -491.839379
where:
bonds (distance) C4'-P energy: -94.414
bonds (distance) P-C4' energy: -91.334
flat angles C4'-P-C4' energy: -118.533
flat angles P-C4'-P energy: -72.465
tors. eta vs tors. theta energy: -115.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1436.797982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.797982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.797982 (E_RNA)
where:
Base-Base interactions energy: -1002.209
where: short stacking energy: -409.232
Base-Backbone interact. energy: 1.242
local terms energy: -435.830981
where:
bonds (distance) C4'-P energy: -92.420
bonds (distance) P-C4' energy: -89.867
flat angles C4'-P-C4' energy: -95.486
flat angles P-C4'-P energy: -61.249
tors. eta vs tors. theta energy: -96.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1319.672659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.672659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.672659 (E_RNA)
where:
Base-Base interactions energy: -879.969
where: short stacking energy: -392.429
Base-Backbone interact. energy: -0.178
local terms energy: -439.525625
where:
bonds (distance) C4'-P energy: -85.655
bonds (distance) P-C4' energy: -80.463
flat angles C4'-P-C4' energy: -97.230
flat angles P-C4'-P energy: -69.203
tors. eta vs tors. theta energy: -106.975
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: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1079.325716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.325716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.325716 (E_RNA)
where:
Base-Base interactions energy: -690.344
where: short stacking energy: -285.605
Base-Backbone interact. energy: -3.185
local terms energy: -385.797273
where:
bonds (distance) C4'-P energy: -79.701
bonds (distance) P-C4' energy: -104.120
flat angles C4'-P-C4' energy: -87.844
flat angles P-C4'-P energy: -59.116
tors. eta vs tors. theta energy: -55.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -872.976694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.976694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.976694 (E_RNA)
where:
Base-Base interactions energy: -529.934
where: short stacking energy: -241.174
Base-Backbone interact. energy: -0.173
local terms energy: -342.870637
where:
bonds (distance) C4'-P energy: -91.332
bonds (distance) P-C4' energy: -95.707
flat angles C4'-P-C4' energy: -77.874
flat angles P-C4'-P energy: -42.527
tors. eta vs tors. theta energy: -35.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -436.567483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.567483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.567483 (E_RNA)
where:
Base-Base interactions energy: -175.097
where: short stacking energy: -146.267
Base-Backbone interact. energy: -2.405
local terms energy: -259.065739
where:
bonds (distance) C4'-P energy: -72.511
bonds (distance) P-C4' energy: -88.776
flat angles C4'-P-C4' energy: -79.122
flat angles P-C4'-P energy: -34.470
tors. eta vs tors. theta energy: 15.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1866.362815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.362815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.362815 (E_RNA)
where:
Base-Base interactions energy: -1290.324
where: short stacking energy: -562.429
Base-Backbone interact. energy: 1.417
local terms energy: -577.455489
where:
bonds (distance) C4'-P energy: -86.811
bonds (distance) P-C4' energy: -107.532
flat angles C4'-P-C4' energy: -125.184
flat angles P-C4'-P energy: -80.920
tors. eta vs tors. theta energy: -177.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1762.521472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.521472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.521472 (E_RNA)
where:
Base-Base interactions energy: -1200.960
where: short stacking energy: -512.872
Base-Backbone interact. energy: -2.716
local terms energy: -558.845082
where:
bonds (distance) C4'-P energy: -105.658
bonds (distance) P-C4' energy: -110.910
flat angles C4'-P-C4' energy: -118.522
flat angles P-C4'-P energy: -76.759
tors. eta vs tors. theta energy: -146.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1719.682703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.682703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.682703 (E_RNA)
where:
Base-Base interactions energy: -1167.696
where: short stacking energy: -510.805
Base-Backbone interact. energy: 0.185
local terms energy: -552.171838
where:
bonds (distance) C4'-P energy: -102.151
bonds (distance) P-C4' energy: -113.715
flat angles C4'-P-C4' energy: -120.473
flat angles P-C4'-P energy: -75.783
tors. eta vs tors. theta energy: -140.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1686.743647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.743647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.743647 (E_RNA)
where:
Base-Base interactions energy: -1133.653
where: short stacking energy: -516.079
Base-Backbone interact. energy: 1.719
local terms energy: -554.810103
where:
bonds (distance) C4'-P energy: -93.712
bonds (distance) P-C4' energy: -121.753
flat angles C4'-P-C4' energy: -112.187
flat angles P-C4'-P energy: -74.852
tors. eta vs tors. theta energy: -152.307
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: 9
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1514.424632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.424632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.424632 (E_RNA)
where:
Base-Base interactions energy: -1013.780
where: short stacking energy: -444.477
Base-Backbone interact. energy: -3.109
local terms energy: -497.535283
where:
bonds (distance) C4'-P energy: -89.448
bonds (distance) P-C4' energy: -97.012
flat angles C4'-P-C4' energy: -119.484
flat angles P-C4'-P energy: -70.477
tors. eta vs tors. theta energy: -121.115
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: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1428.391463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.391463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.391463 (E_RNA)
where:
Base-Base interactions energy: -966.265
where: short stacking energy: -431.374
Base-Backbone interact. energy: -2.693
local terms energy: -459.433185
where:
bonds (distance) C4'-P energy: -99.016
bonds (distance) P-C4' energy: -82.586
flat angles C4'-P-C4' energy: -102.125
flat angles P-C4'-P energy: -61.830
tors. eta vs tors. theta energy: -113.876
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: 7, replica: 4
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1309.338297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.338297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.338297 (E_RNA)
where:
Base-Base interactions energy: -896.206
where: short stacking energy: -373.026
Base-Backbone interact. energy: -1.429
local terms energy: -411.703257
where:
bonds (distance) C4'-P energy: -95.472
bonds (distance) P-C4' energy: -81.663
flat angles C4'-P-C4' energy: -97.448
flat angles P-C4'-P energy: -55.749
tors. eta vs tors. theta energy: -81.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1082.072061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.072061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.072061 (E_RNA)
where:
Base-Base interactions energy: -696.320
where: short stacking energy: -322.588
Base-Backbone interact. energy: -3.693
local terms energy: -382.058510
where:
bonds (distance) C4'-P energy: -104.332
bonds (distance) P-C4' energy: -92.115
flat angles C4'-P-C4' energy: -89.896
flat angles P-C4'-P energy: -48.413
tors. eta vs tors. theta energy: -47.302
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: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -854.860777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.860777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.860777 (E_RNA)
where:
Base-Base interactions energy: -494.494
where: short stacking energy: -235.741
Base-Backbone interact. energy: -0.291
local terms energy: -360.076418
where:
bonds (distance) C4'-P energy: -83.466
bonds (distance) P-C4' energy: -92.347
flat angles C4'-P-C4' energy: -94.531
flat angles P-C4'-P energy: -63.467
tors. eta vs tors. theta energy: -26.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -466.992144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.992144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.992144 (E_RNA)
where:
Base-Base interactions energy: -199.116
where: short stacking energy: -162.925
Base-Backbone interact. energy: 3.509
local terms energy: -271.386110
where:
bonds (distance) C4'-P energy: -87.193
bonds (distance) P-C4' energy: -100.574
flat angles C4'-P-C4' energy: -66.644
flat angles P-C4'-P energy: -30.130
tors. eta vs tors. theta energy: 13.156
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: 1, replica: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1879.688712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.688712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.688712 (E_RNA)
where:
Base-Base interactions energy: -1283.297
where: short stacking energy: -568.297
Base-Backbone interact. energy: -0.444
local terms energy: -595.947408
where:
bonds (distance) C4'-P energy: -114.487
bonds (distance) P-C4' energy: -112.762
flat angles C4'-P-C4' energy: -120.892
flat angles P-C4'-P energy: -78.795
tors. eta vs tors. theta energy: -169.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1798.833675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.833675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.833675 (E_RNA)
where:
Base-Base interactions energy: -1233.566
where: short stacking energy: -524.393
Base-Backbone interact. energy: -1.545
local terms energy: -563.723072
where:
bonds (distance) C4'-P energy: -115.651
bonds (distance) P-C4' energy: -109.823
flat angles C4'-P-C4' energy: -116.571
flat angles P-C4'-P energy: -74.161
tors. eta vs tors. theta energy: -147.518
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: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1658.860895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.860895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.860895 (E_RNA)
where:
Base-Base interactions energy: -1154.341
where: short stacking energy: -475.754
Base-Backbone interact. energy: -1.086
local terms energy: -503.433806
where:
bonds (distance) C4'-P energy: -85.859
bonds (distance) P-C4' energy: -106.603
flat angles C4'-P-C4' energy: -113.867
flat angles P-C4'-P energy: -68.085
tors. eta vs tors. theta energy: -129.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1678.298422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.298422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.298422 (E_RNA)
where:
Base-Base interactions energy: -1132.929
where: short stacking energy: -508.294
Base-Backbone interact. energy: -1.599
local terms energy: -543.770035
where:
bonds (distance) C4'-P energy: -100.232
bonds (distance) P-C4' energy: -92.918
flat angles C4'-P-C4' energy: -124.813
flat angles P-C4'-P energy: -70.379
tors. eta vs tors. theta energy: -155.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1524.944994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.944994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.944994 (E_RNA)
where:
Base-Base interactions energy: -1025.239
where: short stacking energy: -461.643
Base-Backbone interact. energy: 0.056
local terms energy: -499.761672
where:
bonds (distance) C4'-P energy: -103.867
bonds (distance) P-C4' energy: -89.169
flat angles C4'-P-C4' energy: -105.153
flat angles P-C4'-P energy: -68.963
tors. eta vs tors. theta energy: -132.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1447.622728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.622728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.622728 (E_RNA)
where:
Base-Base interactions energy: -1004.679
where: short stacking energy: -422.261
Base-Backbone interact. energy: -1.455
local terms energy: -441.489383
where:
bonds (distance) C4'-P energy: -93.313
bonds (distance) P-C4' energy: -91.880
flat angles C4'-P-C4' energy: -103.506
flat angles P-C4'-P energy: -50.310
tors. eta vs tors. theta energy: -102.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1309.028182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.028182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.028182 (E_RNA)
where:
Base-Base interactions energy: -879.228
where: short stacking energy: -370.605
Base-Backbone interact. energy: 1.922
local terms energy: -431.721853
where:
bonds (distance) C4'-P energy: -88.528
bonds (distance) P-C4' energy: -76.576
flat angles C4'-P-C4' energy: -110.364
flat angles P-C4'-P energy: -58.274
tors. eta vs tors. theta energy: -97.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1069.491237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.491237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.491237 (E_RNA)
where:
Base-Base interactions energy: -667.425
where: short stacking energy: -296.178
Base-Backbone interact. energy: -2.464
local terms energy: -399.602137
where:
bonds (distance) C4'-P energy: -87.785
bonds (distance) P-C4' energy: -99.631
flat angles C4'-P-C4' energy: -90.228
flat angles P-C4'-P energy: -71.583
tors. eta vs tors. theta energy: -50.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -859.240900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.240900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.240900 (E_RNA)
where:
Base-Base interactions energy: -506.033
where: short stacking energy: -245.620
Base-Backbone interact. energy: 2.086
local terms energy: -355.293406
where:
bonds (distance) C4'-P energy: -83.367
bonds (distance) P-C4' energy: -104.354
flat angles C4'-P-C4' energy: -81.420
flat angles P-C4'-P energy: -52.015
tors. eta vs tors. theta energy: -34.137
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: 410
Temperature: 1.350000
Total energy: -437.940915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.940915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.940915 (E_RNA)
where:
Base-Base interactions energy: -132.707
where: short stacking energy: -92.596
Base-Backbone interact. energy: -1.619
local terms energy: -303.615262
where:
bonds (distance) C4'-P energy: -99.656
bonds (distance) P-C4' energy: -100.614
flat angles C4'-P-C4' energy: -83.068
flat angles P-C4'-P energy: -40.918
tors. eta vs tors. theta energy: 20.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1879.118677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.118677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.118677 (E_RNA)
where:
Base-Base interactions energy: -1274.533
where: short stacking energy: -577.009
Base-Backbone interact. energy: 0.125
local terms energy: -604.711341
where:
bonds (distance) C4'-P energy: -114.858
bonds (distance) P-C4' energy: -105.312
flat angles C4'-P-C4' energy: -127.132
flat angles P-C4'-P energy: -94.549
tors. eta vs tors. theta energy: -162.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1765.601908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.601908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.601908 (E_RNA)
where:
Base-Base interactions energy: -1201.748
where: short stacking energy: -523.498
Base-Backbone interact. energy: -1.893
local terms energy: -561.961024
where:
bonds (distance) C4'-P energy: -105.283
bonds (distance) P-C4' energy: -118.976
flat angles C4'-P-C4' energy: -115.692
flat angles P-C4'-P energy: -71.647
tors. eta vs tors. theta energy: -150.364
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: 6
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1686.727611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.727611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.727611 (E_RNA)
where:
Base-Base interactions energy: -1130.201
where: short stacking energy: -503.796
Base-Backbone interact. energy: -2.249
local terms energy: -554.277188
where:
bonds (distance) C4'-P energy: -101.099
bonds (distance) P-C4' energy: -115.605
flat angles C4'-P-C4' energy: -117.829
flat angles P-C4'-P energy: -75.065
tors. eta vs tors. theta energy: -144.679
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: 5
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1635.952724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.952724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.952724 (E_RNA)
where:
Base-Base interactions energy: -1115.735
where: short stacking energy: -477.406
Base-Backbone interact. energy: -0.410
local terms energy: -519.807187
where:
bonds (distance) C4'-P energy: -86.340
bonds (distance) P-C4' energy: -99.749
flat angles C4'-P-C4' energy: -116.859
flat angles P-C4'-P energy: -70.959
tors. eta vs tors. theta energy: -145.901
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: 9
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1493.065543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.065543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.065543 (E_RNA)
where:
Base-Base interactions energy: -1007.847
where: short stacking energy: -426.275
Base-Backbone interact. energy: -0.138
local terms energy: -485.081120
where:
bonds (distance) C4'-P energy: -88.055
bonds (distance) P-C4' energy: -94.964
flat angles C4'-P-C4' energy: -109.574
flat angles P-C4'-P energy: -82.462
tors. eta vs tors. theta energy: -110.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1427.632057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.632057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.632057 (E_RNA)
where:
Base-Base interactions energy: -956.255
where: short stacking energy: -398.942
Base-Backbone interact. energy: -1.385
local terms energy: -469.991808
where:
bonds (distance) C4'-P energy: -88.847
bonds (distance) P-C4' energy: -103.314
flat angles C4'-P-C4' energy: -108.088
flat angles P-C4'-P energy: -71.797
tors. eta vs tors. theta energy: -97.945
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: 411
Temperature: 1.200000
Total energy: -1285.822694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.822694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.822694 (E_RNA)
where:
Base-Base interactions energy: -864.410
where: short stacking energy: -371.972
Base-Backbone interact. energy: -3.072
local terms energy: -418.341335
where:
bonds (distance) C4'-P energy: -91.307
bonds (distance) P-C4' energy: -100.419
flat angles C4'-P-C4' energy: -89.516
flat angles P-C4'-P energy: -53.796
tors. eta vs tors. theta energy: -83.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1056.169360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.169360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.169360 (E_RNA)
where:
Base-Base interactions energy: -679.302
where: short stacking energy: -327.579
Base-Backbone interact. energy: 0.882
local terms energy: -377.749472
where:
bonds (distance) C4'-P energy: -72.435
bonds (distance) P-C4' energy: -81.985
flat angles C4'-P-C4' energy: -99.960
flat angles P-C4'-P energy: -61.291
tors. eta vs tors. theta energy: -62.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -859.530233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.530233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.530233 (E_RNA)
where:
Base-Base interactions energy: -513.544
where: short stacking energy: -264.136
Base-Backbone interact. energy: -1.299
local terms energy: -344.687466
where:
bonds (distance) C4'-P energy: -72.326
bonds (distance) P-C4' energy: -107.254
flat angles C4'-P-C4' energy: -90.269
flat angles P-C4'-P energy: -44.036
tors. eta vs tors. theta energy: -30.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -408.738556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.738556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.738556 (E_RNA)
where:
Base-Base interactions energy: -156.773
where: short stacking energy: -108.891
Base-Backbone interact. energy: -1.574
local terms energy: -250.391085
where:
bonds (distance) C4'-P energy: -77.305
bonds (distance) P-C4' energy: -91.973
flat angles C4'-P-C4' energy: -74.792
flat angles P-C4'-P energy: -40.548
tors. eta vs tors. theta energy: 34.227
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: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1873.364638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.364638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.364638 (E_RNA)
where:
Base-Base interactions energy: -1263.414
where: short stacking energy: -578.054
Base-Backbone interact. energy: -1.075
local terms energy: -608.874765
where:
bonds (distance) C4'-P energy: -116.919
bonds (distance) P-C4' energy: -114.347
flat angles C4'-P-C4' energy: -122.986
flat angles P-C4'-P energy: -86.446
tors. eta vs tors. theta energy: -168.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1761.453438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.453438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.453438 (E_RNA)
where:
Base-Base interactions energy: -1215.250
where: short stacking energy: -506.885
Base-Backbone interact. energy: 0.985
local terms energy: -547.188429
where:
bonds (distance) C4'-P energy: -104.854
bonds (distance) P-C4' energy: -116.870
flat angles C4'-P-C4' energy: -116.292
flat angles P-C4'-P energy: -73.098
tors. eta vs tors. theta energy: -136.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1675.866234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.866234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.866234 (E_RNA)
where:
Base-Base interactions energy: -1127.129
where: short stacking energy: -506.275
Base-Backbone interact. energy: -4.222
local terms energy: -544.515060
where:
bonds (distance) C4'-P energy: -94.417
bonds (distance) P-C4' energy: -100.131
flat angles C4'-P-C4' energy: -112.326
flat angles P-C4'-P energy: -83.645
tors. eta vs tors. theta energy: -153.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1637.629654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.629654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.629654 (E_RNA)
where:
Base-Base interactions energy: -1141.334
where: short stacking energy: -485.870
Base-Backbone interact. energy: -1.648
local terms energy: -494.647829
where:
bonds (distance) C4'-P energy: -90.872
bonds (distance) P-C4' energy: -90.026
flat angles C4'-P-C4' energy: -114.903
flat angles P-C4'-P energy: -60.755
tors. eta vs tors. theta energy: -138.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1512.904261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.904261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.904261 (E_RNA)
where:
Base-Base interactions energy: -1015.971
where: short stacking energy: -425.342
Base-Backbone interact. energy: -1.455
local terms energy: -495.478406
where:
bonds (distance) C4'-P energy: -100.947
bonds (distance) P-C4' energy: -99.105
flat angles C4'-P-C4' energy: -108.399
flat angles P-C4'-P energy: -77.332
tors. eta vs tors. theta energy: -109.696
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: 412
Temperature: 1.150000
Total energy: -1393.418265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.418265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.418265 (E_RNA)
where:
Base-Base interactions energy: -926.607
where: short stacking energy: -415.921
Base-Backbone interact. energy: -0.627
local terms energy: -466.184371
where:
bonds (distance) C4'-P energy: -93.615
bonds (distance) P-C4' energy: -110.527
flat angles C4'-P-C4' energy: -101.844
flat angles P-C4'-P energy: -60.584
tors. eta vs tors. theta energy: -99.615
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: 412
Temperature: 1.200000
Total energy: -1302.660481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.660481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.660481 (E_RNA)
where:
Base-Base interactions energy: -861.146
where: short stacking energy: -389.070
Base-Backbone interact. energy: 1.053
local terms energy: -442.567678
where:
bonds (distance) C4'-P energy: -91.569
bonds (distance) P-C4' energy: -90.142
flat angles C4'-P-C4' energy: -104.107
flat angles P-C4'-P energy: -58.831
tors. eta vs tors. theta energy: -97.920
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: 3
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1087.743043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.743043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.743043 (E_RNA)
where:
Base-Base interactions energy: -705.175
where: short stacking energy: -326.810
Base-Backbone interact. energy: -0.564
local terms energy: -382.004326
where:
bonds (distance) C4'-P energy: -78.693
bonds (distance) P-C4' energy: -76.541
flat angles C4'-P-C4' energy: -108.839
flat angles P-C4'-P energy: -48.562
tors. eta vs tors. theta energy: -69.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -798.723149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.723149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.723149 (E_RNA)
where:
Base-Base interactions energy: -442.392
where: short stacking energy: -215.993
Base-Backbone interact. energy: -0.477
local terms energy: -355.854195
where:
bonds (distance) C4'-P energy: -90.716
bonds (distance) P-C4' energy: -93.342
flat angles C4'-P-C4' energy: -100.770
flat angles P-C4'-P energy: -48.378
tors. eta vs tors. theta energy: -22.649
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: 412
Temperature: 1.350000
Total energy: -477.150610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.150610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.150610 (E_RNA)
where:
Base-Base interactions energy: -182.281
where: short stacking energy: -128.091
Base-Backbone interact. energy: 0.406
local terms energy: -295.276487
where:
bonds (distance) C4'-P energy: -96.257
bonds (distance) P-C4' energy: -94.444
flat angles C4'-P-C4' energy: -78.753
flat angles P-C4'-P energy: -45.297
tors. eta vs tors. theta energy: 19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1883.758585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.758585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.758585 (E_RNA)
where:
Base-Base interactions energy: -1278.342
where: short stacking energy: -573.096
Base-Backbone interact. energy: -1.290
local terms energy: -604.126444
where:
bonds (distance) C4'-P energy: -110.964
bonds (distance) P-C4' energy: -107.860
flat angles C4'-P-C4' energy: -128.878
flat angles P-C4'-P energy: -87.914
tors. eta vs tors. theta energy: -168.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1754.510863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.510863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.510863 (E_RNA)
where:
Base-Base interactions energy: -1200.369
where: short stacking energy: -527.707
Base-Backbone interact. energy: -2.510
local terms energy: -551.631210
where:
bonds (distance) C4'-P energy: -96.174
bonds (distance) P-C4' energy: -115.365
flat angles C4'-P-C4' energy: -107.102
flat angles P-C4'-P energy: -78.584
tors. eta vs tors. theta energy: -154.406
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: 5
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1727.415634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.415634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.415634 (E_RNA)
where:
Base-Base interactions energy: -1171.235
where: short stacking energy: -513.228
Base-Backbone interact. energy: -1.002
local terms energy: -555.178269
where:
bonds (distance) C4'-P energy: -107.808
bonds (distance) P-C4' energy: -95.327
flat angles C4'-P-C4' energy: -128.872
flat angles P-C4'-P energy: -75.015
tors. eta vs tors. theta energy: -148.157
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: 6
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1647.876866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.876866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.876866 (E_RNA)
where:
Base-Base interactions energy: -1135.655
where: short stacking energy: -467.036
Base-Backbone interact. energy: -2.356
local terms energy: -509.865788
where:
bonds (distance) C4'-P energy: -87.753
bonds (distance) P-C4' energy: -92.614
flat angles C4'-P-C4' energy: -126.136
flat angles P-C4'-P energy: -74.162
tors. eta vs tors. theta energy: -129.201
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: 9
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1503.713675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.713675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.713675 (E_RNA)
where:
Base-Base interactions energy: -1019.526
where: short stacking energy: -447.888
Base-Backbone interact. energy: -0.887
local terms energy: -483.301062
where:
bonds (distance) C4'-P energy: -92.381
bonds (distance) P-C4' energy: -96.463
flat angles C4'-P-C4' energy: -111.424
flat angles P-C4'-P energy: -70.863
tors. eta vs tors. theta energy: -112.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1433.150880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.150880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.150880 (E_RNA)
where:
Base-Base interactions energy: -935.441
where: short stacking energy: -407.210
Base-Backbone interact. energy: -1.032
local terms energy: -496.678379
where:
bonds (distance) C4'-P energy: -105.229
bonds (distance) P-C4' energy: -104.251
flat angles C4'-P-C4' energy: -100.419
flat angles P-C4'-P energy: -73.304
tors. eta vs tors. theta energy: -113.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1263.258966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.258966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.258966 (E_RNA)
where:
Base-Base interactions energy: -821.266
where: short stacking energy: -334.357
Base-Backbone interact. energy: 0.009
local terms energy: -442.002700
where:
bonds (distance) C4'-P energy: -95.352
bonds (distance) P-C4' energy: -106.301
flat angles C4'-P-C4' energy: -95.118
flat angles P-C4'-P energy: -68.496
tors. eta vs tors. theta energy: -76.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1087.132181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.132181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.132181 (E_RNA)
where:
Base-Base interactions energy: -686.076
where: short stacking energy: -312.718
Base-Backbone interact. energy: 2.577
local terms energy: -403.633667
where:
bonds (distance) C4'-P energy: -86.481
bonds (distance) P-C4' energy: -100.672
flat angles C4'-P-C4' energy: -85.731
flat angles P-C4'-P energy: -67.268
tors. eta vs tors. theta energy: -63.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -764.855717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.855717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.855717 (E_RNA)
where:
Base-Base interactions energy: -401.012
where: short stacking energy: -205.820
Base-Backbone interact. energy: -0.938
local terms energy: -362.904987
where:
bonds (distance) C4'-P energy: -99.896
bonds (distance) P-C4' energy: -89.558
flat angles C4'-P-C4' energy: -84.774
flat angles P-C4'-P energy: -57.703
tors. eta vs tors. theta energy: -30.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -461.324905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.324905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.324905 (E_RNA)
where:
Base-Base interactions energy: -196.814
where: short stacking energy: -126.038
Base-Backbone interact. energy: 1.264
local terms energy: -265.774700
where:
bonds (distance) C4'-P energy: -81.944
bonds (distance) P-C4' energy: -74.761
flat angles C4'-P-C4' energy: -79.585
flat angles P-C4'-P energy: -51.136
tors. eta vs tors. theta energy: 21.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1879.938756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.938756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.938756 (E_RNA)
where:
Base-Base interactions energy: -1282.488
where: short stacking energy: -574.976
Base-Backbone interact. energy: -2.159
local terms energy: -595.291390
where:
bonds (distance) C4'-P energy: -105.661
bonds (distance) P-C4' energy: -106.371
flat angles C4'-P-C4' energy: -125.591
flat angles P-C4'-P energy: -82.776
tors. eta vs tors. theta energy: -174.893
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: 7
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1782.620892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.620892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.620892 (E_RNA)
where:
Base-Base interactions energy: -1229.182
where: short stacking energy: -509.316
Base-Backbone interact. energy: -1.149
local terms energy: -552.290126
where:
bonds (distance) C4'-P energy: -108.011
bonds (distance) P-C4' energy: -96.777
flat angles C4'-P-C4' energy: -116.225
flat angles P-C4'-P energy: -75.403
tors. eta vs tors. theta energy: -155.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1739.231689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.231689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.231689 (E_RNA)
where:
Base-Base interactions energy: -1184.922
where: short stacking energy: -525.984
Base-Backbone interact. energy: 1.126
local terms energy: -555.435146
where:
bonds (distance) C4'-P energy: -94.619
bonds (distance) P-C4' energy: -90.679
flat angles C4'-P-C4' energy: -122.184
flat angles P-C4'-P energy: -95.335
tors. eta vs tors. theta energy: -152.618
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: 6
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1628.853643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.853643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.853643 (E_RNA)
where:
Base-Base interactions energy: -1114.429
where: short stacking energy: -481.855
Base-Backbone interact. energy: 0.999
local terms energy: -515.424048
where:
bonds (distance) C4'-P energy: -96.823
bonds (distance) P-C4' energy: -96.751
flat angles C4'-P-C4' energy: -131.991
flat angles P-C4'-P energy: -60.613
tors. eta vs tors. theta energy: -129.246
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: 414
Temperature: 1.100000
Total energy: -1505.821545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.821545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.821545 (E_RNA)
where:
Base-Base interactions energy: -1036.269
where: short stacking energy: -435.480
Base-Backbone interact. energy: 1.226
local terms energy: -470.778285
where:
bonds (distance) C4'-P energy: -83.059
bonds (distance) P-C4' energy: -98.127
flat angles C4'-P-C4' energy: -101.443
flat angles P-C4'-P energy: -80.690
tors. eta vs tors. theta energy: -107.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1374.855801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.855801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.855801 (E_RNA)
where:
Base-Base interactions energy: -927.575
where: short stacking energy: -386.944
Base-Backbone interact. energy: 2.010
local terms energy: -449.291084
where:
bonds (distance) C4'-P energy: -71.187
bonds (distance) P-C4' energy: -100.448
flat angles C4'-P-C4' energy: -98.595
flat angles P-C4'-P energy: -70.825
tors. eta vs tors. theta energy: -108.236
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: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1246.956244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.956244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.956244 (E_RNA)
where:
Base-Base interactions energy: -838.183
where: short stacking energy: -350.128
Base-Backbone interact. energy: -3.057
local terms energy: -405.716214
where:
bonds (distance) C4'-P energy: -100.244
bonds (distance) P-C4' energy: -93.844
flat angles C4'-P-C4' energy: -83.172
flat angles P-C4'-P energy: -56.506
tors. eta vs tors. theta energy: -71.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1097.150257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.150257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.150257 (E_RNA)
where:
Base-Base interactions energy: -698.284
where: short stacking energy: -313.510
Base-Backbone interact. energy: -3.622
local terms energy: -395.243772
where:
bonds (distance) C4'-P energy: -95.437
bonds (distance) P-C4' energy: -87.393
flat angles C4'-P-C4' energy: -103.115
flat angles P-C4'-P energy: -45.016
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: 9, replica: 8
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -714.749176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.749176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.749176 (E_RNA)
where:
Base-Base interactions energy: -403.780
where: short stacking energy: -192.959
Base-Backbone interact. energy: 3.765
local terms energy: -314.734450
where:
bonds (distance) C4'-P energy: -100.158
bonds (distance) P-C4' energy: -83.718
flat angles C4'-P-C4' energy: -66.813
flat angles P-C4'-P energy: -48.360
tors. eta vs tors. theta energy: -15.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -495.953272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.953272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.953272 (E_RNA)
where:
Base-Base interactions energy: -192.481
where: short stacking energy: -139.574
Base-Backbone interact. energy: 0.946
local terms energy: -304.417989
where:
bonds (distance) C4'-P energy: -77.972
bonds (distance) P-C4' energy: -86.396
flat angles C4'-P-C4' energy: -88.093
flat angles P-C4'-P energy: -49.749
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1898.977646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.977646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.977646 (E_RNA)
where:
Base-Base interactions energy: -1298.743
where: short stacking energy: -564.566
Base-Backbone interact. energy: -0.102
local terms energy: -600.133046
where:
bonds (distance) C4'-P energy: -101.941
bonds (distance) P-C4' energy: -117.726
flat angles C4'-P-C4' energy: -121.837
flat angles P-C4'-P energy: -87.288
tors. eta vs tors. theta energy: -171.340
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: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1784.939304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.939304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.939304 (E_RNA)
where:
Base-Base interactions energy: -1200.050
where: short stacking energy: -534.840
Base-Backbone interact. energy: -0.916
local terms energy: -583.972988
where:
bonds (distance) C4'-P energy: -122.768
bonds (distance) P-C4' energy: -100.844
flat angles C4'-P-C4' energy: -121.102
flat angles P-C4'-P energy: -84.370
tors. eta vs tors. theta energy: -154.888
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: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1728.577786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.577786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.577786 (E_RNA)
where:
Base-Base interactions energy: -1184.867
where: short stacking energy: -503.808
Base-Backbone interact. energy: -0.130
local terms energy: -543.580656
where:
bonds (distance) C4'-P energy: -102.909
bonds (distance) P-C4' energy: -113.979
flat angles C4'-P-C4' energy: -109.049
flat angles P-C4'-P energy: -68.466
tors. eta vs tors. theta energy: -149.177
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: 6
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1642.009615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.009615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.009615 (E_RNA)
where:
Base-Base interactions energy: -1116.990
where: short stacking energy: -469.137
Base-Backbone interact. energy: -2.761
local terms energy: -522.258192
where:
bonds (distance) C4'-P energy: -105.817
bonds (distance) P-C4' energy: -95.242
flat angles C4'-P-C4' energy: -111.304
flat angles P-C4'-P energy: -73.417
tors. eta vs tors. theta energy: -136.478
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: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1511.800817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.800817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.800817 (E_RNA)
where:
Base-Base interactions energy: -1042.512
where: short stacking energy: -444.033
Base-Backbone interact. energy: -2.363
local terms energy: -466.926156
where:
bonds (distance) C4'-P energy: -93.836
bonds (distance) P-C4' energy: -84.018
flat angles C4'-P-C4' energy: -102.619
flat angles P-C4'-P energy: -69.678
tors. eta vs tors. theta energy: -116.775
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: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1368.561675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.561675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.561675 (E_RNA)
where:
Base-Base interactions energy: -907.298
where: short stacking energy: -385.275
Base-Backbone interact. energy: -2.695
local terms energy: -458.568405
where:
bonds (distance) C4'-P energy: -87.160
bonds (distance) P-C4' energy: -109.187
flat angles C4'-P-C4' energy: -104.185
flat angles P-C4'-P energy: -63.819
tors. eta vs tors. theta energy: -94.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1220.703316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.703316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.703316 (E_RNA)
where:
Base-Base interactions energy: -830.716
where: short stacking energy: -352.517
Base-Backbone interact. energy: 4.087
local terms energy: -394.074291
where:
bonds (distance) C4'-P energy: -87.215
bonds (distance) P-C4' energy: -81.706
flat angles C4'-P-C4' energy: -100.726
flat angles P-C4'-P energy: -45.716
tors. eta vs tors. theta energy: -78.711
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: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1069.229986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.229986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.229986 (E_RNA)
where:
Base-Base interactions energy: -680.852
where: short stacking energy: -299.426
Base-Backbone interact. energy: -1.504
local terms energy: -386.874286
where:
bonds (distance) C4'-P energy: -94.680
bonds (distance) P-C4' energy: -106.577
flat angles C4'-P-C4' energy: -83.981
flat angles P-C4'-P energy: -49.522
tors. eta vs tors. theta energy: -52.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -744.436225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.436225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.436225 (E_RNA)
where:
Base-Base interactions energy: -435.578
where: short stacking energy: -211.328
Base-Backbone interact. energy: -1.730
local terms energy: -307.128276
where:
bonds (distance) C4'-P energy: -88.142
bonds (distance) P-C4' energy: -95.449
flat angles C4'-P-C4' energy: -71.348
flat angles P-C4'-P energy: -48.010
tors. eta vs tors. theta energy: -4.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -458.296272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.296272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.296272 (E_RNA)
where:
Base-Base interactions energy: -189.225
where: short stacking energy: -130.053
Base-Backbone interact. energy: -3.237
local terms energy: -265.834387
where:
bonds (distance) C4'-P energy: -70.507
bonds (distance) P-C4' energy: -90.475
flat angles C4'-P-C4' energy: -67.822
flat angles P-C4'-P energy: -63.511
tors. eta vs tors. theta energy: 26.480
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: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1908.237636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.237636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.237636 (E_RNA)
where:
Base-Base interactions energy: -1299.983
where: short stacking energy: -580.134
Base-Backbone interact. energy: -4.055
local terms energy: -604.198874
where:
bonds (distance) C4'-P energy: -105.990
bonds (distance) P-C4' energy: -110.379
flat angles C4'-P-C4' energy: -128.466
flat angles P-C4'-P energy: -85.804
tors. eta vs tors. theta energy: -173.559
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: 5
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1768.541134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.541134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.541134 (E_RNA)
where:
Base-Base interactions energy: -1200.169
where: short stacking energy: -523.272
Base-Backbone interact. energy: -2.305
local terms energy: -566.067162
where:
bonds (distance) C4'-P energy: -106.715
bonds (distance) P-C4' energy: -103.575
flat angles C4'-P-C4' energy: -119.953
flat angles P-C4'-P energy: -81.976
tors. eta vs tors. theta energy: -153.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1712.897025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.897025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.897025 (E_RNA)
where:
Base-Base interactions energy: -1185.276
where: short stacking energy: -531.209
Base-Backbone interact. energy: 0.388
local terms energy: -528.008369
where:
bonds (distance) C4'-P energy: -93.362
bonds (distance) P-C4' energy: -95.684
flat angles C4'-P-C4' energy: -123.711
flat angles P-C4'-P energy: -69.564
tors. eta vs tors. theta energy: -145.687
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: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1603.118545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.118545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.118545 (E_RNA)
where:
Base-Base interactions energy: -1119.482
where: short stacking energy: -459.237
Base-Backbone interact. energy: -0.775
local terms energy: -482.861274
where:
bonds (distance) C4'-P energy: -79.689
bonds (distance) P-C4' energy: -102.432
flat angles C4'-P-C4' energy: -104.041
flat angles P-C4'-P energy: -74.164
tors. eta vs tors. theta energy: -122.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1485.902404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.902404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.902404 (E_RNA)
where:
Base-Base interactions energy: -989.593
where: short stacking energy: -426.953
Base-Backbone interact. energy: -0.294
local terms energy: -496.015236
where:
bonds (distance) C4'-P energy: -100.552
bonds (distance) P-C4' energy: -107.036
flat angles C4'-P-C4' energy: -108.957
flat angles P-C4'-P energy: -63.770
tors. eta vs tors. theta energy: -115.701
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: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1343.976276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.976276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.976276 (E_RNA)
where:
Base-Base interactions energy: -900.722
where: short stacking energy: -393.150
Base-Backbone interact. energy: -3.781
local terms energy: -439.473364
where:
bonds (distance) C4'-P energy: -92.871
bonds (distance) P-C4' energy: -87.604
flat angles C4'-P-C4' energy: -94.783
flat angles P-C4'-P energy: -65.406
tors. eta vs tors. theta energy: -98.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1207.943273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.943273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.943273 (E_RNA)
where:
Base-Base interactions energy: -815.827
where: short stacking energy: -344.216
Base-Backbone interact. energy: -0.105
local terms energy: -392.011101
where:
bonds (distance) C4'-P energy: -84.303
bonds (distance) P-C4' energy: -85.680
flat angles C4'-P-C4' energy: -103.033
flat angles P-C4'-P energy: -54.029
tors. eta vs tors. theta energy: -64.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1057.165040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.165040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.165040 (E_RNA)
where:
Base-Base interactions energy: -688.238
where: short stacking energy: -303.438
Base-Backbone interact. energy: -0.873
local terms energy: -368.053643
where:
bonds (distance) C4'-P energy: -81.796
bonds (distance) P-C4' energy: -95.701
flat angles C4'-P-C4' energy: -101.788
flat angles P-C4'-P energy: -55.256
tors. eta vs tors. theta energy: -33.513
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: 416
Temperature: 1.300000
Total energy: -791.519053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.519053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.519053 (E_RNA)
where:
Base-Base interactions energy: -479.549
where: short stacking energy: -223.937
Base-Backbone interact. energy: 3.200
local terms energy: -315.170146
where:
bonds (distance) C4'-P energy: -92.306
bonds (distance) P-C4' energy: -96.091
flat angles C4'-P-C4' energy: -79.046
flat angles P-C4'-P energy: -35.922
tors. eta vs tors. theta energy: -11.804
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: 10, replica: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -428.549838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.549838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.549838 (E_RNA)
where:
Base-Base interactions energy: -154.059
where: short stacking energy: -134.844
Base-Backbone interact. energy: -1.066
local terms energy: -273.424721
where:
bonds (distance) C4'-P energy: -90.484
bonds (distance) P-C4' energy: -82.114
flat angles C4'-P-C4' energy: -78.967
flat angles P-C4'-P energy: -41.250
tors. eta vs tors. theta energy: 19.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1874.662708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.662708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.662708 (E_RNA)
where:
Base-Base interactions energy: -1267.153
where: short stacking energy: -554.597
Base-Backbone interact. energy: -1.903
local terms energy: -605.607237
where:
bonds (distance) C4'-P energy: -107.012
bonds (distance) P-C4' energy: -114.854
flat angles C4'-P-C4' energy: -122.583
flat angles P-C4'-P energy: -88.850
tors. eta vs tors. theta energy: -172.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1792.038632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.038632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.038632 (E_RNA)
where:
Base-Base interactions energy: -1190.379
where: short stacking energy: -510.038
Base-Backbone interact. energy: -1.274
local terms energy: -600.385285
where:
bonds (distance) C4'-P energy: -112.852
bonds (distance) P-C4' energy: -114.988
flat angles C4'-P-C4' energy: -129.132
flat angles P-C4'-P energy: -90.215
tors. eta vs tors. theta energy: -153.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1691.658183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.658183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.658183 (E_RNA)
where:
Base-Base interactions energy: -1145.385
where: short stacking energy: -494.820
Base-Backbone interact. energy: -3.706
local terms energy: -542.567624
where:
bonds (distance) C4'-P energy: -99.166
bonds (distance) P-C4' energy: -111.683
flat angles C4'-P-C4' energy: -115.059
flat angles P-C4'-P energy: -83.095
tors. eta vs tors. theta energy: -133.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1615.693197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.693197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.693197 (E_RNA)
where:
Base-Base interactions energy: -1116.339
where: short stacking energy: -453.505
Base-Backbone interact. energy: -2.267
local terms energy: -497.087557
where:
bonds (distance) C4'-P energy: -96.745
bonds (distance) P-C4' energy: -102.198
flat angles C4'-P-C4' energy: -114.042
flat angles P-C4'-P energy: -63.964
tors. eta vs tors. theta energy: -120.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1476.103530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.103530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.103530 (E_RNA)
where:
Base-Base interactions energy: -1006.430
where: short stacking energy: -442.040
Base-Backbone interact. energy: -3.676
local terms energy: -465.998036
where:
bonds (distance) C4'-P energy: -82.438
bonds (distance) P-C4' energy: -99.013
flat angles C4'-P-C4' energy: -106.140
flat angles P-C4'-P energy: -64.347
tors. eta vs tors. theta energy: -114.061
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: 1
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1338.702496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.702496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.702496 (E_RNA)
where:
Base-Base interactions energy: -902.505
where: short stacking energy: -356.072
Base-Backbone interact. energy: -1.753
local terms energy: -434.444735
where:
bonds (distance) C4'-P energy: -104.817
bonds (distance) P-C4' energy: -94.472
flat angles C4'-P-C4' energy: -104.246
flat angles P-C4'-P energy: -62.654
tors. eta vs tors. theta energy: -68.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1238.713946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.713946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.713946 (E_RNA)
where:
Base-Base interactions energy: -818.579
where: short stacking energy: -340.050
Base-Backbone interact. energy: -1.365
local terms energy: -418.769380
where:
bonds (distance) C4'-P energy: -85.564
bonds (distance) P-C4' energy: -112.441
flat angles C4'-P-C4' energy: -98.477
flat angles P-C4'-P energy: -53.335
tors. eta vs tors. theta energy: -68.953
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: 8, replica: 3
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1076.778028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.778028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.778028 (E_RNA)
where:
Base-Base interactions energy: -689.211
where: short stacking energy: -275.585
Base-Backbone interact. energy: -0.970
local terms energy: -386.596965
where:
bonds (distance) C4'-P energy: -89.603
bonds (distance) P-C4' energy: -94.413
flat angles C4'-P-C4' energy: -98.494
flat angles P-C4'-P energy: -64.863
tors. eta vs tors. theta energy: -39.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -784.854961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.854961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.854961 (E_RNA)
where:
Base-Base interactions energy: -447.115
where: short stacking energy: -230.740
Base-Backbone interact. energy: 1.506
local terms energy: -339.245693
where:
bonds (distance) C4'-P energy: -95.829
bonds (distance) P-C4' energy: -91.221
flat angles C4'-P-C4' energy: -93.435
flat angles P-C4'-P energy: -35.316
tors. eta vs tors. theta energy: -23.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -451.207951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.207951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.207951 (E_RNA)
where:
Base-Base interactions energy: -179.799
where: short stacking energy: -146.775
Base-Backbone interact. energy: -1.486
local terms energy: -269.922287
where:
bonds (distance) C4'-P energy: -92.799
bonds (distance) P-C4' energy: -90.064
flat angles C4'-P-C4' energy: -50.137
flat angles P-C4'-P energy: -46.046
tors. eta vs tors. theta energy: 9.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1870.356443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.356443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.356443 (E_RNA)
where:
Base-Base interactions energy: -1271.976
where: short stacking energy: -574.958
Base-Backbone interact. energy: -1.401
local terms energy: -596.980263
where:
bonds (distance) C4'-P energy: -113.560
bonds (distance) P-C4' energy: -99.731
flat angles C4'-P-C4' energy: -129.820
flat angles P-C4'-P energy: -81.974
tors. eta vs tors. theta energy: -171.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1755.204768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.204768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.204768 (E_RNA)
where:
Base-Base interactions energy: -1188.450
where: short stacking energy: -530.647
Base-Backbone interact. energy: -0.766
local terms energy: -565.989487
where:
bonds (distance) C4'-P energy: -107.662
bonds (distance) P-C4' energy: -112.031
flat angles C4'-P-C4' energy: -116.712
flat angles P-C4'-P energy: -79.923
tors. eta vs tors. theta energy: -149.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1682.479927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.479927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.479927 (E_RNA)
where:
Base-Base interactions energy: -1133.005
where: short stacking energy: -476.647
Base-Backbone interact. energy: -1.835
local terms energy: -547.640457
where:
bonds (distance) C4'-P energy: -110.125
bonds (distance) P-C4' energy: -102.408
flat angles C4'-P-C4' energy: -116.358
flat angles P-C4'-P energy: -77.009
tors. eta vs tors. theta energy: -141.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1571.488946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.488946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.488946 (E_RNA)
where:
Base-Base interactions energy: -1042.871
where: short stacking energy: -417.298
Base-Backbone interact. energy: -2.662
local terms energy: -525.956141
where:
bonds (distance) C4'-P energy: -110.544
bonds (distance) P-C4' energy: -96.950
flat angles C4'-P-C4' energy: -112.626
flat angles P-C4'-P energy: -88.207
tors. eta vs tors. theta energy: -117.630
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: 418
Temperature: 1.100000
Total energy: -1539.395761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.395761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.395761 (E_RNA)
where:
Base-Base interactions energy: -1041.056
where: short stacking energy: -444.055
Base-Backbone interact. energy: 0.828
local terms energy: -499.167991
where:
bonds (distance) C4'-P energy: -89.148
bonds (distance) P-C4' energy: -96.807
flat angles C4'-P-C4' energy: -111.095
flat angles P-C4'-P energy: -78.308
tors. eta vs tors. theta energy: -123.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1405.899554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.899554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.899554 (E_RNA)
where:
Base-Base interactions energy: -941.221
where: short stacking energy: -391.456
Base-Backbone interact. energy: -1.561
local terms energy: -463.117574
where:
bonds (distance) C4'-P energy: -93.907
bonds (distance) P-C4' energy: -97.231
flat angles C4'-P-C4' energy: -107.890
flat angles P-C4'-P energy: -68.801
tors. eta vs tors. theta energy: -95.289
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: 4
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1241.015610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.015610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.015610 (E_RNA)
where:
Base-Base interactions energy: -829.565
where: short stacking energy: -340.959
Base-Backbone interact. energy: 3.457
local terms energy: -414.906875
where:
bonds (distance) C4'-P energy: -76.282
bonds (distance) P-C4' energy: -111.307
flat angles C4'-P-C4' energy: -89.266
flat angles P-C4'-P energy: -65.330
tors. eta vs tors. theta energy: -72.722
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: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1092.630035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.630035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.630035 (E_RNA)
where:
Base-Base interactions energy: -694.027
where: short stacking energy: -306.459
Base-Backbone interact. energy: -1.527
local terms energy: -397.076150
where:
bonds (distance) C4'-P energy: -98.611
bonds (distance) P-C4' energy: -88.353
flat angles C4'-P-C4' energy: -91.203
flat angles P-C4'-P energy: -53.731
tors. eta vs tors. theta energy: -65.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -784.424957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.424957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.424957 (E_RNA)
where:
Base-Base interactions energy: -456.283
where: short stacking energy: -232.194
Base-Backbone interact. energy: -0.846
local terms energy: -327.295161
where:
bonds (distance) C4'-P energy: -57.206
bonds (distance) P-C4' energy: -89.212
flat angles C4'-P-C4' energy: -88.031
flat angles P-C4'-P energy: -45.552
tors. eta vs tors. theta energy: -47.294
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: 418
Temperature: 1.350000
Total energy: -456.807103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.807103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.807103 (E_RNA)
where:
Base-Base interactions energy: -167.325
where: short stacking energy: -115.900
Base-Backbone interact. energy: 9.059
local terms energy: -298.540759
where:
bonds (distance) C4'-P energy: -81.913
bonds (distance) P-C4' energy: -94.002
flat angles C4'-P-C4' energy: -84.670
flat angles P-C4'-P energy: -57.219
tors. eta vs tors. theta energy: 19.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1867.926415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.926415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.926415 (E_RNA)
where:
Base-Base interactions energy: -1275.182
where: short stacking energy: -574.417
Base-Backbone interact. energy: -2.141
local terms energy: -590.602905
where:
bonds (distance) C4'-P energy: -106.676
bonds (distance) P-C4' energy: -108.906
flat angles C4'-P-C4' energy: -129.415
flat angles P-C4'-P energy: -84.062
tors. eta vs tors. theta energy: -161.544
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: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1771.045600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.045600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.045600 (E_RNA)
where:
Base-Base interactions energy: -1213.659
where: short stacking energy: -549.854
Base-Backbone interact. energy: -1.710
local terms energy: -555.677033
where:
bonds (distance) C4'-P energy: -102.496
bonds (distance) P-C4' energy: -112.274
flat angles C4'-P-C4' energy: -117.212
flat angles P-C4'-P energy: -74.086
tors. eta vs tors. theta energy: -149.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1703.188503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.188503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.188503 (E_RNA)
where:
Base-Base interactions energy: -1169.351
where: short stacking energy: -477.399
Base-Backbone interact. energy: -0.833
local terms energy: -533.004296
where:
bonds (distance) C4'-P energy: -105.419
bonds (distance) P-C4' energy: -109.778
flat angles C4'-P-C4' energy: -118.927
flat angles P-C4'-P energy: -64.062
tors. eta vs tors. theta energy: -134.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1595.427098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.427098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.427098 (E_RNA)
where:
Base-Base interactions energy: -1098.390
where: short stacking energy: -481.524
Base-Backbone interact. energy: -2.375
local terms energy: -494.661950
where:
bonds (distance) C4'-P energy: -84.372
bonds (distance) P-C4' energy: -108.476
flat angles C4'-P-C4' energy: -101.387
flat angles P-C4'-P energy: -77.107
tors. eta vs tors. theta energy: -123.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1548.549477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.549477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.549477 (E_RNA)
where:
Base-Base interactions energy: -1061.929
where: short stacking energy: -453.860
Base-Backbone interact. energy: 0.486
local terms energy: -487.106637
where:
bonds (distance) C4'-P energy: -94.099
bonds (distance) P-C4' energy: -109.187
flat angles C4'-P-C4' energy: -101.084
flat angles P-C4'-P energy: -66.247
tors. eta vs tors. theta energy: -116.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1394.537108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.537108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.537108 (E_RNA)
where:
Base-Base interactions energy: -957.274
where: short stacking energy: -404.658
Base-Backbone interact. energy: -0.056
local terms energy: -437.207622
where:
bonds (distance) C4'-P energy: -80.671
bonds (distance) P-C4' energy: -86.651
flat angles C4'-P-C4' energy: -104.812
flat angles P-C4'-P energy: -59.593
tors. eta vs tors. theta energy: -105.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1273.143196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.143196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.143196 (E_RNA)
where:
Base-Base interactions energy: -836.462
where: short stacking energy: -343.078
Base-Backbone interact. energy: 0.634
local terms energy: -437.315637
where:
bonds (distance) C4'-P energy: -99.680
bonds (distance) P-C4' energy: -91.657
flat angles C4'-P-C4' energy: -101.225
flat angles P-C4'-P energy: -67.694
tors. eta vs tors. theta energy: -77.060
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: 8, replica: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1134.839893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.839893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.839893 (E_RNA)
where:
Base-Base interactions energy: -736.503
where: short stacking energy: -325.482
Base-Backbone interact. energy: -0.952
local terms energy: -397.385557
where:
bonds (distance) C4'-P energy: -82.698
bonds (distance) P-C4' energy: -98.842
flat angles C4'-P-C4' energy: -106.981
flat angles P-C4'-P energy: -44.055
tors. eta vs tors. theta energy: -64.810
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: 8
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -761.239293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.239293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.239293 (E_RNA)
where:
Base-Base interactions energy: -433.903
where: short stacking energy: -221.498
Base-Backbone interact. energy: -2.076
local terms energy: -325.260152
where:
bonds (distance) C4'-P energy: -95.353
bonds (distance) P-C4' energy: -89.966
flat angles C4'-P-C4' energy: -71.650
flat angles P-C4'-P energy: -49.872
tors. eta vs tors. theta energy: -18.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -422.485673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.485673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.485673 (E_RNA)
where:
Base-Base interactions energy: -131.791
where: short stacking energy: -113.867
Base-Backbone interact. energy: 1.417
local terms energy: -292.111597
where:
bonds (distance) C4'-P energy: -82.671
bonds (distance) P-C4' energy: -90.804
flat angles C4'-P-C4' energy: -88.181
flat angles P-C4'-P energy: -51.481
tors. eta vs tors. theta energy: 21.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1847.964618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.964618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.964618 (E_RNA)
where:
Base-Base interactions energy: -1254.544
where: short stacking energy: -571.367
Base-Backbone interact. energy: -0.096
local terms energy: -593.324546
where:
bonds (distance) C4'-P energy: -108.578
bonds (distance) P-C4' energy: -108.389
flat angles C4'-P-C4' energy: -123.553
flat angles P-C4'-P energy: -89.883
tors. eta vs tors. theta energy: -162.921
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: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1792.306356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.306356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.306356 (E_RNA)
where:
Base-Base interactions energy: -1236.324
where: short stacking energy: -546.913
Base-Backbone interact. energy: -1.321
local terms energy: -554.660912
where:
bonds (distance) C4'-P energy: -98.224
bonds (distance) P-C4' energy: -114.924
flat angles C4'-P-C4' energy: -102.511
flat angles P-C4'-P energy: -83.081
tors. eta vs tors. theta energy: -155.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1726.634635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.634635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.634635 (E_RNA)
where:
Base-Base interactions energy: -1173.903
where: short stacking energy: -506.365
Base-Backbone interact. energy: 6.060
local terms energy: -558.791120
where:
bonds (distance) C4'-P energy: -105.807
bonds (distance) P-C4' energy: -108.416
flat angles C4'-P-C4' energy: -120.161
flat angles P-C4'-P energy: -85.975
tors. eta vs tors. theta energy: -138.432
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: 6
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1595.265727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.265727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.265727 (E_RNA)
where:
Base-Base interactions energy: -1076.965
where: short stacking energy: -454.355
Base-Backbone interact. energy: -2.734
local terms energy: -515.567211
where:
bonds (distance) C4'-P energy: -95.857
bonds (distance) P-C4' energy: -109.257
flat angles C4'-P-C4' energy: -108.839
flat angles P-C4'-P energy: -75.309
tors. eta vs tors. theta energy: -126.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1521.621669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.621669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.621669 (E_RNA)
where:
Base-Base interactions energy: -1027.009
where: short stacking energy: -433.194
Base-Backbone interact. energy: 1.789
local terms energy: -496.401203
where:
bonds (distance) C4'-P energy: -101.034
bonds (distance) P-C4' energy: -97.565
flat angles C4'-P-C4' energy: -115.788
flat angles P-C4'-P energy: -72.040
tors. eta vs tors. theta energy: -109.974
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: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1355.890612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.890612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.890612 (E_RNA)
where:
Base-Base interactions energy: -918.543
where: short stacking energy: -386.439
Base-Backbone interact. energy: -3.060
local terms energy: -434.287774
where:
bonds (distance) C4'-P energy: -81.115
bonds (distance) P-C4' energy: -98.856
flat angles C4'-P-C4' energy: -107.753
flat angles P-C4'-P energy: -57.471
tors. eta vs tors. theta energy: -89.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1233.938937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.938937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.938937 (E_RNA)
where:
Base-Base interactions energy: -805.984
where: short stacking energy: -354.073
Base-Backbone interact. energy: -1.269
local terms energy: -426.685984
where:
bonds (distance) C4'-P energy: -87.834
bonds (distance) P-C4' energy: -98.395
flat angles C4'-P-C4' energy: -98.012
flat angles P-C4'-P energy: -69.154
tors. eta vs tors. theta energy: -73.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1060.591713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.591713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.591713 (E_RNA)
where:
Base-Base interactions energy: -704.858
where: short stacking energy: -309.922
Base-Backbone interact. energy: 0.451
local terms energy: -356.185212
where:
bonds (distance) C4'-P energy: -71.672
bonds (distance) P-C4' energy: -94.273
flat angles C4'-P-C4' energy: -84.756
flat angles P-C4'-P energy: -47.848
tors. eta vs tors. theta energy: -57.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -795.637616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.637616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.637616 (E_RNA)
where:
Base-Base interactions energy: -454.433
where: short stacking energy: -218.053
Base-Backbone interact. energy: 1.938
local terms energy: -343.142696
where:
bonds (distance) C4'-P energy: -73.281
bonds (distance) P-C4' energy: -103.990
flat angles C4'-P-C4' energy: -100.218
flat angles P-C4'-P energy: -40.701
tors. eta vs tors. theta energy: -24.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -424.040732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.040732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.040732 (E_RNA)
where:
Base-Base interactions energy: -174.930
where: short stacking energy: -135.566
Base-Backbone interact. energy: 0.499
local terms energy: -249.609688
where:
bonds (distance) C4'-P energy: -86.239
bonds (distance) P-C4' energy: -93.072
flat angles C4'-P-C4' energy: -66.633
flat angles P-C4'-P energy: -37.121
tors. eta vs tors. theta energy: 33.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1880.489153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.489153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.489153 (E_RNA)
where:
Base-Base interactions energy: -1285.476
where: short stacking energy: -590.934
Base-Backbone interact. energy: -1.092
local terms energy: -593.921024
where:
bonds (distance) C4'-P energy: -91.427
bonds (distance) P-C4' energy: -114.809
flat angles C4'-P-C4' energy: -115.244
flat angles P-C4'-P energy: -93.908
tors. eta vs tors. theta energy: -178.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1752.681434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.681434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.681434 (E_RNA)
where:
Base-Base interactions energy: -1193.233
where: short stacking energy: -516.098
Base-Backbone interact. energy: 0.393
local terms energy: -559.841519
where:
bonds (distance) C4'-P energy: -96.246
bonds (distance) P-C4' energy: -99.829
flat angles C4'-P-C4' energy: -124.433
flat angles P-C4'-P energy: -89.710
tors. eta vs tors. theta energy: -149.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1738.326543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.326543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.326543 (E_RNA)
where:
Base-Base interactions energy: -1193.951
where: short stacking energy: -505.939
Base-Backbone interact. energy: -1.983
local terms energy: -542.392323
where:
bonds (distance) C4'-P energy: -99.299
bonds (distance) P-C4' energy: -101.780
flat angles C4'-P-C4' energy: -120.243
flat angles P-C4'-P energy: -82.930
tors. eta vs tors. theta energy: -138.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1578.469866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.469866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.469866 (E_RNA)
where:
Base-Base interactions energy: -1061.230
where: short stacking energy: -481.481
Base-Backbone interact. energy: 2.775
local terms energy: -520.014943
where:
bonds (distance) C4'-P energy: -95.810
bonds (distance) P-C4' energy: -103.579
flat angles C4'-P-C4' energy: -116.072
flat angles P-C4'-P energy: -71.955
tors. eta vs tors. theta energy: -132.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1537.553242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.553242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.553242 (E_RNA)
where:
Base-Base interactions energy: -1044.724
where: short stacking energy: -429.681
Base-Backbone interact. energy: -0.712
local terms energy: -492.117954
where:
bonds (distance) C4'-P energy: -100.269
bonds (distance) P-C4' energy: -88.746
flat angles C4'-P-C4' energy: -113.499
flat angles P-C4'-P energy: -75.234
tors. eta vs tors. theta energy: -114.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1384.366463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.366463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.366463 (E_RNA)
where:
Base-Base interactions energy: -929.675
where: short stacking energy: -403.142
Base-Backbone interact. energy: 0.401
local terms energy: -455.092953
where:
bonds (distance) C4'-P energy: -101.558
bonds (distance) P-C4' energy: -93.160
flat angles C4'-P-C4' energy: -94.162
flat angles P-C4'-P energy: -67.010
tors. eta vs tors. theta energy: -99.203
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: 4
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1260.536840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.536840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.536840 (E_RNA)
where:
Base-Base interactions energy: -826.937
where: short stacking energy: -358.440
Base-Backbone interact. energy: -0.573
local terms energy: -433.026361
where:
bonds (distance) C4'-P energy: -104.028
bonds (distance) P-C4' energy: -94.629
flat angles C4'-P-C4' energy: -100.157
flat angles P-C4'-P energy: -59.585
tors. eta vs tors. theta energy: -74.627
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: 3
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1051.525799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.525799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.525799 (E_RNA)
where:
Base-Base interactions energy: -696.272
where: short stacking energy: -280.809
Base-Backbone interact. energy: 1.148
local terms energy: -356.401781
where:
bonds (distance) C4'-P energy: -82.651
bonds (distance) P-C4' energy: -90.776
flat angles C4'-P-C4' energy: -87.592
flat angles P-C4'-P energy: -45.791
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: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -786.827299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.827299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.827299 (E_RNA)
where:
Base-Base interactions energy: -445.763
where: short stacking energy: -217.847
Base-Backbone interact. energy: -0.991
local terms energy: -340.073008
where:
bonds (distance) C4'-P energy: -99.218
bonds (distance) P-C4' energy: -90.294
flat angles C4'-P-C4' energy: -87.212
flat angles P-C4'-P energy: -44.147
tors. eta vs tors. theta energy: -19.201
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: 421
Temperature: 1.350000
Total energy: -428.008560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.008560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.008560 (E_RNA)
where:
Base-Base interactions energy: -124.963
where: short stacking energy: -81.058
Base-Backbone interact. energy: -0.853
local terms energy: -302.192907
where:
bonds (distance) C4'-P energy: -97.574
bonds (distance) P-C4' energy: -106.103
flat angles C4'-P-C4' energy: -83.252
flat angles P-C4'-P energy: -47.499
tors. eta vs tors. theta energy: 32.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1886.511368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.511368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.511368 (E_RNA)
where:
Base-Base interactions energy: -1285.830
where: short stacking energy: -557.548
Base-Backbone interact. energy: -0.302
local terms energy: -600.379720
where:
bonds (distance) C4'-P energy: -104.842
bonds (distance) P-C4' energy: -112.282
flat angles C4'-P-C4' energy: -127.431
flat angles P-C4'-P energy: -83.351
tors. eta vs tors. theta energy: -172.473
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: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1743.616369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.616369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.616369 (E_RNA)
where:
Base-Base interactions energy: -1165.347
where: short stacking energy: -516.017
Base-Backbone interact. energy: -0.035
local terms energy: -578.234558
where:
bonds (distance) C4'-P energy: -111.956
bonds (distance) P-C4' energy: -103.073
flat angles C4'-P-C4' energy: -129.775
flat angles P-C4'-P energy: -80.873
tors. eta vs tors. theta energy: -152.556
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: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1719.799496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.799496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.799496 (E_RNA)
where:
Base-Base interactions energy: -1172.007
where: short stacking energy: -482.135
Base-Backbone interact. energy: -2.951
local terms energy: -544.841765
where:
bonds (distance) C4'-P energy: -112.042
bonds (distance) P-C4' energy: -109.444
flat angles C4'-P-C4' energy: -109.388
flat angles P-C4'-P energy: -80.430
tors. eta vs tors. theta energy: -133.538
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: 6
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1563.252763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.252763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.252763 (E_RNA)
where:
Base-Base interactions energy: -1074.597
where: short stacking energy: -459.785
Base-Backbone interact. energy: 0.780
local terms energy: -489.435532
where:
bonds (distance) C4'-P energy: -103.926
bonds (distance) P-C4' energy: -95.605
flat angles C4'-P-C4' energy: -98.271
flat angles P-C4'-P energy: -71.940
tors. eta vs tors. theta energy: -119.693
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: 422
Temperature: 1.100000
Total energy: -1538.546359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.546359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.546359 (E_RNA)
where:
Base-Base interactions energy: -1050.908
where: short stacking energy: -449.874
Base-Backbone interact. energy: -2.173
local terms energy: -485.465762
where:
bonds (distance) C4'-P energy: -105.013
bonds (distance) P-C4' energy: -91.220
flat angles C4'-P-C4' energy: -114.184
flat angles P-C4'-P energy: -56.631
tors. eta vs tors. theta energy: -118.417
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: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1385.303718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.303718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.303718 (E_RNA)
where:
Base-Base interactions energy: -915.167
where: short stacking energy: -400.088
Base-Backbone interact. energy: -2.474
local terms energy: -467.662845
where:
bonds (distance) C4'-P energy: -97.700
bonds (distance) P-C4' energy: -94.940
flat angles C4'-P-C4' energy: -97.794
flat angles P-C4'-P energy: -81.018
tors. eta vs tors. theta energy: -96.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1281.076860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.076860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.076860 (E_RNA)
where:
Base-Base interactions energy: -845.990
where: short stacking energy: -366.945
Base-Backbone interact. energy: -2.712
local terms energy: -432.375260
where:
bonds (distance) C4'-P energy: -92.424
bonds (distance) P-C4' energy: -97.000
flat angles C4'-P-C4' energy: -88.997
flat angles P-C4'-P energy: -67.315
tors. eta vs tors. theta energy: -86.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1069.252534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.252534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.252534 (E_RNA)
where:
Base-Base interactions energy: -712.336
where: short stacking energy: -315.901
Base-Backbone interact. energy: 1.292
local terms energy: -358.208680
where:
bonds (distance) C4'-P energy: -86.266
bonds (distance) P-C4' energy: -91.510
flat angles C4'-P-C4' energy: -74.887
flat angles P-C4'-P energy: -46.769
tors. eta vs tors. theta energy: -58.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -760.261450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.261450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.261450 (E_RNA)
where:
Base-Base interactions energy: -449.954
where: short stacking energy: -251.938
Base-Backbone interact. energy: 9.309
local terms energy: -319.616956
where:
bonds (distance) C4'-P energy: -99.625
bonds (distance) P-C4' energy: -93.227
flat angles C4'-P-C4' energy: -66.233
flat angles P-C4'-P energy: -45.726
tors. eta vs tors. theta energy: -14.805
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: 422
Temperature: 1.350000
Total energy: -430.185935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.185935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.185935 (E_RNA)
where:
Base-Base interactions energy: -177.151
where: short stacking energy: -151.368
Base-Backbone interact. energy: 6.195
local terms energy: -259.229754
where:
bonds (distance) C4'-P energy: -88.222
bonds (distance) P-C4' energy: -76.756
flat angles C4'-P-C4' energy: -51.641
flat angles P-C4'-P energy: -43.863
tors. eta vs tors. theta energy: 1.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1885.897412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.897412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.897412 (E_RNA)
where:
Base-Base interactions energy: -1266.265
where: short stacking energy: -563.499
Base-Backbone interact. energy: -3.966
local terms energy: -615.667205
where:
bonds (distance) C4'-P energy: -115.931
bonds (distance) P-C4' energy: -114.939
flat angles C4'-P-C4' energy: -125.235
flat angles P-C4'-P energy: -87.957
tors. eta vs tors. theta energy: -171.605
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: 2, replica: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1773.253655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.253655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.253655 (E_RNA)
where:
Base-Base interactions energy: -1182.910
where: short stacking energy: -531.284
Base-Backbone interact. energy: -3.266
local terms energy: -587.077066
where:
bonds (distance) C4'-P energy: -110.209
bonds (distance) P-C4' energy: -113.015
flat angles C4'-P-C4' energy: -116.888
flat angles P-C4'-P energy: -85.017
tors. eta vs tors. theta energy: -161.948
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: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1693.732099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.732099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.732099 (E_RNA)
where:
Base-Base interactions energy: -1166.497
where: short stacking energy: -486.821
Base-Backbone interact. energy: -1.300
local terms energy: -525.934720
where:
bonds (distance) C4'-P energy: -94.095
bonds (distance) P-C4' energy: -100.136
flat angles C4'-P-C4' energy: -113.223
flat angles P-C4'-P energy: -81.751
tors. eta vs tors. theta energy: -136.730
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: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1581.800006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.800006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.800006 (E_RNA)
where:
Base-Base interactions energy: -1083.106
where: short stacking energy: -481.022
Base-Backbone interact. energy: -0.742
local terms energy: -497.951697
where:
bonds (distance) C4'-P energy: -101.413
bonds (distance) P-C4' energy: -88.837
flat angles C4'-P-C4' energy: -115.714
flat angles P-C4'-P energy: -69.681
tors. eta vs tors. theta energy: -122.306
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: 5, replica: 6
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1509.354886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.354886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.354886 (E_RNA)
where:
Base-Base interactions energy: -1032.223
where: short stacking energy: -454.666
Base-Backbone interact. energy: -1.517
local terms energy: -475.614078
where:
bonds (distance) C4'-P energy: -90.373
bonds (distance) P-C4' energy: -99.718
flat angles C4'-P-C4' energy: -100.341
flat angles P-C4'-P energy: -65.687
tors. eta vs tors. theta energy: -119.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1292.570031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.570031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.570031 (E_RNA)
where:
Base-Base interactions energy: -834.692
where: short stacking energy: -350.254
Base-Backbone interact. energy: -0.109
local terms energy: -457.769414
where:
bonds (distance) C4'-P energy: -90.830
bonds (distance) P-C4' energy: -108.431
flat angles C4'-P-C4' energy: -99.014
flat angles P-C4'-P energy: -74.826
tors. eta vs tors. theta energy: -84.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1356.778394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.778394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.778394 (E_RNA)
where:
Base-Base interactions energy: -911.133
where: short stacking energy: -370.068
Base-Backbone interact. energy: -3.187
local terms energy: -442.458341
where:
bonds (distance) C4'-P energy: -98.437
bonds (distance) P-C4' energy: -103.408
flat angles C4'-P-C4' energy: -80.974
flat angles P-C4'-P energy: -71.094
tors. eta vs tors. theta energy: -88.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1097.239202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.239202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.239202 (E_RNA)
where:
Base-Base interactions energy: -711.887
where: short stacking energy: -311.785
Base-Backbone interact. energy: -1.449
local terms energy: -383.903478
where:
bonds (distance) C4'-P energy: -74.997
bonds (distance) P-C4' energy: -100.696
flat angles C4'-P-C4' energy: -92.213
flat angles P-C4'-P energy: -39.734
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: 9, replica: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -765.640414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.640414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.640414 (E_RNA)
where:
Base-Base interactions energy: -433.162
where: short stacking energy: -220.872
Base-Backbone interact. energy: -2.481
local terms energy: -329.996782
where:
bonds (distance) C4'-P energy: -82.824
bonds (distance) P-C4' energy: -79.985
flat angles C4'-P-C4' energy: -96.272
flat angles P-C4'-P energy: -52.720
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: 423
Temperature: 1.350000
Total energy: -431.302002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.302002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.302002 (E_RNA)
where:
Base-Base interactions energy: -161.057
where: short stacking energy: -140.948
Base-Backbone interact. energy: 1.058
local terms energy: -271.302768
where:
bonds (distance) C4'-P energy: -76.390
bonds (distance) P-C4' energy: -104.733
flat angles C4'-P-C4' energy: -72.759
flat angles P-C4'-P energy: -37.455
tors. eta vs tors. theta energy: 20.034
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: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1877.148040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.148040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.148040 (E_RNA)
where:
Base-Base interactions energy: -1273.604
where: short stacking energy: -558.387
Base-Backbone interact. energy: -3.177
local terms energy: -600.367317
where:
bonds (distance) C4'-P energy: -113.730
bonds (distance) P-C4' energy: -107.744
flat angles C4'-P-C4' energy: -129.037
flat angles P-C4'-P energy: -85.425
tors. eta vs tors. theta energy: -164.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1797.757671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.757671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.757671 (E_RNA)
where:
Base-Base interactions energy: -1224.900
where: short stacking energy: -544.006
Base-Backbone interact. energy: -1.154
local terms energy: -571.703507
where:
bonds (distance) C4'-P energy: -112.023
bonds (distance) P-C4' energy: -97.201
flat angles C4'-P-C4' energy: -122.575
flat angles P-C4'-P energy: -83.593
tors. eta vs tors. theta energy: -156.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1701.748292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.748292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.748292 (E_RNA)
where:
Base-Base interactions energy: -1187.186
where: short stacking energy: -485.501
Base-Backbone interact. energy: 0.274
local terms energy: -514.835931
where:
bonds (distance) C4'-P energy: -99.323
bonds (distance) P-C4' energy: -102.707
flat angles C4'-P-C4' energy: -108.280
flat angles P-C4'-P energy: -59.633
tors. eta vs tors. theta energy: -144.892
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: 9
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1584.227949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.227949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.227949 (E_RNA)
where:
Base-Base interactions energy: -1090.879
where: short stacking energy: -466.336
Base-Backbone interact. energy: -2.076
local terms energy: -491.273304
where:
bonds (distance) C4'-P energy: -106.505
bonds (distance) P-C4' energy: -95.375
flat angles C4'-P-C4' energy: -93.985
flat angles P-C4'-P energy: -79.162
tors. eta vs tors. theta energy: -116.246
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: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1506.311776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.311776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.311776 (E_RNA)
where:
Base-Base interactions energy: -1012.326
where: short stacking energy: -429.425
Base-Backbone interact. energy: 3.143
local terms energy: -497.128600
where:
bonds (distance) C4'-P energy: -100.385
bonds (distance) P-C4' energy: -120.374
flat angles C4'-P-C4' energy: -89.735
flat angles P-C4'-P energy: -70.277
tors. eta vs tors. theta energy: -116.358
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: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1336.066984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.066984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.066984 (E_RNA)
where:
Base-Base interactions energy: -860.168
where: short stacking energy: -402.513
Base-Backbone interact. energy: -0.401
local terms energy: -475.498240
where:
bonds (distance) C4'-P energy: -96.097
bonds (distance) P-C4' energy: -109.978
flat angles C4'-P-C4' energy: -98.154
flat angles P-C4'-P energy: -71.963
tors. eta vs tors. theta energy: -99.307
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: 7, replica: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1334.987652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.987652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.987652 (E_RNA)
where:
Base-Base interactions energy: -908.245
where: short stacking energy: -385.717
Base-Backbone interact. energy: 2.801
local terms energy: -429.543373
where:
bonds (distance) C4'-P energy: -83.891
bonds (distance) P-C4' energy: -95.089
flat angles C4'-P-C4' energy: -98.344
flat angles P-C4'-P energy: -59.419
tors. eta vs tors. theta energy: -92.801
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: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1119.001214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.001214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.001214 (E_RNA)
where:
Base-Base interactions energy: -720.741
where: short stacking energy: -316.700
Base-Backbone interact. energy: -0.381
local terms energy: -397.879158
where:
bonds (distance) C4'-P energy: -79.056
bonds (distance) P-C4' energy: -100.194
flat angles C4'-P-C4' energy: -98.354
flat angles P-C4'-P energy: -61.451
tors. eta vs tors. theta energy: -58.825
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: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -805.519559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.519559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.519559 (E_RNA)
where:
Base-Base interactions energy: -455.218
where: short stacking energy: -218.878
Base-Backbone interact. energy: 1.573
local terms energy: -351.874679
where:
bonds (distance) C4'-P energy: -83.466
bonds (distance) P-C4' energy: -117.112
flat angles C4'-P-C4' energy: -80.582
flat angles P-C4'-P energy: -49.973
tors. eta vs tors. theta energy: -20.741
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: 424
Temperature: 1.350000
Total energy: -441.881216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.881216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.881216 (E_RNA)
where:
Base-Base interactions energy: -138.992
where: short stacking energy: -108.730
Base-Backbone interact. energy: -2.048
local terms energy: -300.841696
where:
bonds (distance) C4'-P energy: -87.434
bonds (distance) P-C4' energy: -102.922
flat angles C4'-P-C4' energy: -85.603
flat angles P-C4'-P energy: -48.456
tors. eta vs tors. theta energy: 23.574
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: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1866.312490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.312490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.312490 (E_RNA)
where:
Base-Base interactions energy: -1277.872
where: short stacking energy: -566.202
Base-Backbone interact. energy: -4.161
local terms energy: -584.279477
where:
bonds (distance) C4'-P energy: -113.824
bonds (distance) P-C4' energy: -95.787
flat angles C4'-P-C4' energy: -131.640
flat angles P-C4'-P energy: -71.739
tors. eta vs tors. theta energy: -171.291
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: 2, replica: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1752.629197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.629197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.629197 (E_RNA)
where:
Base-Base interactions energy: -1175.538
where: short stacking energy: -520.170
Base-Backbone interact. energy: -3.533
local terms energy: -573.557720
where:
bonds (distance) C4'-P energy: -102.214
bonds (distance) P-C4' energy: -116.751
flat angles C4'-P-C4' energy: -118.950
flat angles P-C4'-P energy: -81.506
tors. eta vs tors. theta energy: -154.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1704.820918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.820918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.820918 (E_RNA)
where:
Base-Base interactions energy: -1182.912
where: short stacking energy: -509.004
Base-Backbone interact. energy: -2.185
local terms energy: -519.724617
where:
bonds (distance) C4'-P energy: -99.541
bonds (distance) P-C4' energy: -100.944
flat angles C4'-P-C4' energy: -103.547
flat angles P-C4'-P energy: -74.964
tors. eta vs tors. theta energy: -140.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1601.541009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.541009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.541009 (E_RNA)
where:
Base-Base interactions energy: -1099.219
where: short stacking energy: -488.933
Base-Backbone interact. energy: 1.165
local terms energy: -503.486278
where:
bonds (distance) C4'-P energy: -95.718
bonds (distance) P-C4' energy: -103.299
flat angles C4'-P-C4' energy: -112.487
flat angles P-C4'-P energy: -75.303
tors. eta vs tors. theta energy: -116.679
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: 5, replica: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1521.443601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.443601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.443601 (E_RNA)
where:
Base-Base interactions energy: -1018.963
where: short stacking energy: -430.365
Base-Backbone interact. energy: -0.879
local terms energy: -501.602120
where:
bonds (distance) C4'-P energy: -100.159
bonds (distance) P-C4' energy: -105.211
flat angles C4'-P-C4' energy: -117.005
flat angles P-C4'-P energy: -80.356
tors. eta vs tors. theta energy: -98.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1395.533077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.533077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.533077 (E_RNA)
where:
Base-Base interactions energy: -950.071
where: short stacking energy: -405.528
Base-Backbone interact. energy: -2.126
local terms energy: -443.336066
where:
bonds (distance) C4'-P energy: -80.032
bonds (distance) P-C4' energy: -90.041
flat angles C4'-P-C4' energy: -108.563
flat angles P-C4'-P energy: -60.674
tors. eta vs tors. theta energy: -104.026
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: 4
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1279.281169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.281169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.281169 (E_RNA)
where:
Base-Base interactions energy: -846.086
where: short stacking energy: -348.547
Base-Backbone interact. energy: -1.702
local terms energy: -431.493739
where:
bonds (distance) C4'-P energy: -94.723
bonds (distance) P-C4' energy: -92.456
flat angles C4'-P-C4' energy: -91.462
flat angles P-C4'-P energy: -60.684
tors. eta vs tors. theta energy: -92.168
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: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1024.751531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.751531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.751531 (E_RNA)
where:
Base-Base interactions energy: -676.217
where: short stacking energy: -301.160
Base-Backbone interact. energy: -2.608
local terms energy: -345.927076
where:
bonds (distance) C4'-P energy: -85.200
bonds (distance) P-C4' energy: -74.244
flat angles C4'-P-C4' energy: -92.522
flat angles P-C4'-P energy: -57.035
tors. eta vs tors. theta energy: -36.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -786.628424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.628424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.628424 (E_RNA)
where:
Base-Base interactions energy: -428.643
where: short stacking energy: -219.856
Base-Backbone interact. energy: 1.382
local terms energy: -359.367493
where:
bonds (distance) C4'-P energy: -78.968
bonds (distance) P-C4' energy: -98.482
flat angles C4'-P-C4' energy: -92.075
flat angles P-C4'-P energy: -67.197
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: 425
Temperature: 1.350000
Total energy: -421.000223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.000223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.000223 (E_RNA)
where:
Base-Base interactions energy: -159.319
where: short stacking energy: -146.316
Base-Backbone interact. energy: -0.198
local terms energy: -261.483716
where:
bonds (distance) C4'-P energy: -76.809
bonds (distance) P-C4' energy: -97.863
flat angles C4'-P-C4' energy: -53.362
flat angles P-C4'-P energy: -37.192
tors. eta vs tors. theta energy: 3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1870.336316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.336316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.336316 (E_RNA)
where:
Base-Base interactions energy: -1274.723
where: short stacking energy: -574.830
Base-Backbone interact. energy: -2.504
local terms energy: -593.109210
where:
bonds (distance) C4'-P energy: -95.827
bonds (distance) P-C4' energy: -107.098
flat angles C4'-P-C4' energy: -133.190
flat angles P-C4'-P energy: -82.401
tors. eta vs tors. theta energy: -174.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1788.955144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.955144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.955144 (E_RNA)
where:
Base-Base interactions energy: -1213.275
where: short stacking energy: -558.833
Base-Backbone interact. energy: -1.299
local terms energy: -574.381946
where:
bonds (distance) C4'-P energy: -96.829
bonds (distance) P-C4' energy: -98.150
flat angles C4'-P-C4' energy: -121.736
flat angles P-C4'-P energy: -89.784
tors. eta vs tors. theta energy: -167.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1700.263258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.263258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.263258 (E_RNA)
where:
Base-Base interactions energy: -1159.569
where: short stacking energy: -497.294
Base-Backbone interact. energy: 4.186
local terms energy: -544.879866
where:
bonds (distance) C4'-P energy: -110.124
bonds (distance) P-C4' energy: -105.825
flat angles C4'-P-C4' energy: -112.584
flat angles P-C4'-P energy: -73.908
tors. eta vs tors. theta energy: -142.439
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: 9
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1609.676302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.676302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.676302 (E_RNA)
where:
Base-Base interactions energy: -1107.165
where: short stacking energy: -465.114
Base-Backbone interact. energy: 0.121
local terms energy: -502.632251
where:
bonds (distance) C4'-P energy: -87.530
bonds (distance) P-C4' energy: -98.101
flat angles C4'-P-C4' energy: -114.718
flat angles P-C4'-P energy: -73.289
tors. eta vs tors. theta energy: -128.994
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: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1517.112777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.112777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.112777 (E_RNA)
where:
Base-Base interactions energy: -1015.663
where: short stacking energy: -432.148
Base-Backbone interact. energy: -1.533
local terms energy: -499.916465
where:
bonds (distance) C4'-P energy: -95.476
bonds (distance) P-C4' energy: -107.034
flat angles C4'-P-C4' energy: -106.348
flat angles P-C4'-P energy: -73.878
tors. eta vs tors. theta energy: -117.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1363.722467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.722467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.722467 (E_RNA)
where:
Base-Base interactions energy: -924.601
where: short stacking energy: -378.317
Base-Backbone interact. energy: -2.711
local terms energy: -436.410208
where:
bonds (distance) C4'-P energy: -88.824
bonds (distance) P-C4' energy: -85.950
flat angles C4'-P-C4' energy: -108.050
flat angles P-C4'-P energy: -58.979
tors. eta vs tors. theta energy: -94.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1237.754595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.754595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.754595 (E_RNA)
where:
Base-Base interactions energy: -822.503
where: short stacking energy: -338.739
Base-Backbone interact. energy: -3.123
local terms energy: -412.128613
where:
bonds (distance) C4'-P energy: -95.285
bonds (distance) P-C4' energy: -89.404
flat angles C4'-P-C4' energy: -90.804
flat angles P-C4'-P energy: -62.209
tors. eta vs tors. theta energy: -74.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1050.839999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.839999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.839999 (E_RNA)
where:
Base-Base interactions energy: -626.836
where: short stacking energy: -280.145
Base-Backbone interact. energy: -1.233
local terms energy: -422.770178
where:
bonds (distance) C4'-P energy: -107.661
bonds (distance) P-C4' energy: -99.907
flat angles C4'-P-C4' energy: -106.105
flat angles P-C4'-P energy: -59.892
tors. eta vs tors. theta energy: -49.205
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: 426
Temperature: 1.300000
Total energy: -745.647824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.647824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.647824 (E_RNA)
where:
Base-Base interactions energy: -401.546
where: short stacking energy: -200.033
Base-Backbone interact. energy: 1.323
local terms energy: -345.425036
where:
bonds (distance) C4'-P energy: -83.014
bonds (distance) P-C4' energy: -105.905
flat angles C4'-P-C4' energy: -97.582
flat angles P-C4'-P energy: -44.434
tors. eta vs tors. theta energy: -14.489
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: 426
Temperature: 1.350000
Total energy: -455.900900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.900900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.900900 (E_RNA)
where:
Base-Base interactions energy: -175.967
where: short stacking energy: -119.047
Base-Backbone interact. energy: -0.518
local terms energy: -279.416182
where:
bonds (distance) C4'-P energy: -85.565
bonds (distance) P-C4' energy: -87.396
flat angles C4'-P-C4' energy: -95.111
flat angles P-C4'-P energy: -24.562
tors. eta vs tors. theta energy: 13.217
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: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1863.186155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.186155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.186155 (E_RNA)
where:
Base-Base interactions energy: -1269.783
where: short stacking energy: -589.270
Base-Backbone interact. energy: -2.196
local terms energy: -591.207045
where:
bonds (distance) C4'-P energy: -110.304
bonds (distance) P-C4' energy: -100.017
flat angles C4'-P-C4' energy: -120.334
flat angles P-C4'-P energy: -87.045
tors. eta vs tors. theta energy: -173.508
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: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1797.684078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.684078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.684078 (E_RNA)
where:
Base-Base interactions energy: -1242.755
where: short stacking energy: -524.057
Base-Backbone interact. energy: -2.517
local terms energy: -552.411612
where:
bonds (distance) C4'-P energy: -110.120
bonds (distance) P-C4' energy: -103.994
flat angles C4'-P-C4' energy: -119.537
flat angles P-C4'-P energy: -64.163
tors. eta vs tors. theta energy: -154.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1738.558479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.558479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.558479 (E_RNA)
where:
Base-Base interactions energy: -1189.876
where: short stacking energy: -536.280
Base-Backbone interact. energy: 0.385
local terms energy: -549.066773
where:
bonds (distance) C4'-P energy: -105.246
bonds (distance) P-C4' energy: -99.399
flat angles C4'-P-C4' energy: -116.012
flat angles P-C4'-P energy: -73.467
tors. eta vs tors. theta energy: -154.942
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: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1650.185519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.185519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.185519 (E_RNA)
where:
Base-Base interactions energy: -1103.750
where: short stacking energy: -474.570
Base-Backbone interact. energy: 1.927
local terms energy: -548.362908
where:
bonds (distance) C4'-P energy: -91.004
bonds (distance) P-C4' energy: -124.041
flat angles C4'-P-C4' energy: -115.464
flat angles P-C4'-P energy: -73.568
tors. eta vs tors. theta energy: -144.287
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: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1482.772052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.772052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.772052 (E_RNA)
where:
Base-Base interactions energy: -1013.256
where: short stacking energy: -419.661
Base-Backbone interact. energy: -2.477
local terms energy: -467.038423
where:
bonds (distance) C4'-P energy: -84.048
bonds (distance) P-C4' energy: -110.746
flat angles C4'-P-C4' energy: -99.952
flat angles P-C4'-P energy: -69.064
tors. eta vs tors. theta energy: -103.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1351.728482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.728482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.728482 (E_RNA)
where:
Base-Base interactions energy: -895.343
where: short stacking energy: -380.974
Base-Backbone interact. energy: -2.307
local terms energy: -454.078161
where:
bonds (distance) C4'-P energy: -101.701
bonds (distance) P-C4' energy: -107.740
flat angles C4'-P-C4' energy: -83.730
flat angles P-C4'-P energy: -67.952
tors. eta vs tors. theta energy: -92.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1250.742697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.742697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.742697 (E_RNA)
where:
Base-Base interactions energy: -822.583
where: short stacking energy: -356.717
Base-Backbone interact. energy: -1.461
local terms energy: -426.698218
where:
bonds (distance) C4'-P energy: -91.926
bonds (distance) P-C4' energy: -104.657
flat angles C4'-P-C4' energy: -92.264
flat angles P-C4'-P energy: -62.933
tors. eta vs tors. theta energy: -74.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1105.057590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.057590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.057590 (E_RNA)
where:
Base-Base interactions energy: -728.059
where: short stacking energy: -327.010
Base-Backbone interact. energy: 0.793
local terms energy: -377.791450
where:
bonds (distance) C4'-P energy: -84.773
bonds (distance) P-C4' energy: -86.851
flat angles C4'-P-C4' energy: -93.931
flat angles P-C4'-P energy: -43.552
tors. eta vs tors. theta energy: -68.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -753.844538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.844538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.844538 (E_RNA)
where:
Base-Base interactions energy: -452.269
where: short stacking energy: -213.418
Base-Backbone interact. energy: 3.883
local terms energy: -305.458745
where:
bonds (distance) C4'-P energy: -79.286
bonds (distance) P-C4' energy: -84.901
flat angles C4'-P-C4' energy: -70.643
flat angles P-C4'-P energy: -43.040
tors. eta vs tors. theta energy: -27.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -417.724643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.724643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.724643 (E_RNA)
where:
Base-Base interactions energy: -136.116
where: short stacking energy: -91.907
Base-Backbone interact. energy: -3.120
local terms energy: -278.488550
where:
bonds (distance) C4'-P energy: -85.851
bonds (distance) P-C4' energy: -96.638
flat angles C4'-P-C4' energy: -64.817
flat angles P-C4'-P energy: -58.322
tors. eta vs tors. theta energy: 27.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1872.872192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.872192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.872192 (E_RNA)
where:
Base-Base interactions energy: -1266.492
where: short stacking energy: -554.222
Base-Backbone interact. energy: -0.596
local terms energy: -605.784086
where:
bonds (distance) C4'-P energy: -113.596
bonds (distance) P-C4' energy: -112.294
flat angles C4'-P-C4' energy: -124.405
flat angles P-C4'-P energy: -84.311
tors. eta vs tors. theta energy: -171.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1759.435535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.435535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.435535 (E_RNA)
where:
Base-Base interactions energy: -1200.775
where: short stacking energy: -503.895
Base-Backbone interact. energy: -1.880
local terms energy: -556.780215
where:
bonds (distance) C4'-P energy: -98.879
bonds (distance) P-C4' energy: -93.384
flat angles C4'-P-C4' energy: -129.383
flat angles P-C4'-P energy: -87.456
tors. eta vs tors. theta energy: -147.679
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: 3, replica: 5
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1734.415779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.415779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.415779 (E_RNA)
where:
Base-Base interactions energy: -1165.268
where: short stacking energy: -529.127
Base-Backbone interact. energy: 0.186
local terms energy: -569.333878
where:
bonds (distance) C4'-P energy: -102.977
bonds (distance) P-C4' energy: -95.672
flat angles C4'-P-C4' energy: -123.561
flat angles P-C4'-P energy: -85.690
tors. eta vs tors. theta energy: -161.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1590.862180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.862180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.862180 (E_RNA)
where:
Base-Base interactions energy: -1078.794
where: short stacking energy: -467.568
Base-Backbone interact. energy: -1.716
local terms energy: -510.351962
where:
bonds (distance) C4'-P energy: -98.508
bonds (distance) P-C4' energy: -101.641
flat angles C4'-P-C4' energy: -109.342
flat angles P-C4'-P energy: -71.061
tors. eta vs tors. theta energy: -129.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1517.031017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.031017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.031017 (E_RNA)
where:
Base-Base interactions energy: -1029.961
where: short stacking energy: -452.795
Base-Backbone interact. energy: -2.588
local terms energy: -484.481471
where:
bonds (distance) C4'-P energy: -89.260
bonds (distance) P-C4' energy: -87.273
flat angles C4'-P-C4' energy: -112.266
flat angles P-C4'-P energy: -70.708
tors. eta vs tors. theta energy: -124.975
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: 6, replica: 1
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1377.209894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.209894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.209894 (E_RNA)
where:
Base-Base interactions energy: -965.673
where: short stacking energy: -408.130
Base-Backbone interact. energy: 5.993
local terms energy: -417.529223
where:
bonds (distance) C4'-P energy: -94.706
bonds (distance) P-C4' energy: -84.246
flat angles C4'-P-C4' energy: -90.464
flat angles P-C4'-P energy: -51.535
tors. eta vs tors. theta energy: -96.577
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: 7, replica: 4
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1273.817352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.817352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.817352 (E_RNA)
where:
Base-Base interactions energy: -836.105
where: short stacking energy: -335.072
Base-Backbone interact. energy: -1.631
local terms energy: -436.081129
where:
bonds (distance) C4'-P energy: -85.002
bonds (distance) P-C4' energy: -95.777
flat angles C4'-P-C4' energy: -105.020
flat angles P-C4'-P energy: -60.812
tors. eta vs tors. theta energy: -89.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1116.827617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.827617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.827617 (E_RNA)
where:
Base-Base interactions energy: -734.421
where: short stacking energy: -310.034
Base-Backbone interact. energy: 1.800
local terms energy: -384.205956
where:
bonds (distance) C4'-P energy: -94.714
bonds (distance) P-C4' energy: -78.449
flat angles C4'-P-C4' energy: -83.232
flat angles P-C4'-P energy: -64.772
tors. eta vs tors. theta energy: -63.039
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: 9, replica: 8
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -750.896776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.896776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.896776 (E_RNA)
where:
Base-Base interactions energy: -434.193
where: short stacking energy: -205.060
Base-Backbone interact. energy: 9.842
local terms energy: -326.546158
where:
bonds (distance) C4'-P energy: -104.849
bonds (distance) P-C4' energy: -77.837
flat angles C4'-P-C4' energy: -72.570
flat angles P-C4'-P energy: -51.112
tors. eta vs tors. theta energy: -20.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -434.862895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.862895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.862895 (E_RNA)
where:
Base-Base interactions energy: -145.927
where: short stacking energy: -128.440
Base-Backbone interact. energy: -1.178
local terms energy: -287.758149
where:
bonds (distance) C4'-P energy: -80.829
bonds (distance) P-C4' energy: -111.948
flat angles C4'-P-C4' energy: -84.887
flat angles P-C4'-P energy: -31.217
tors. eta vs tors. theta energy: 21.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1850.614407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.614407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.614407 (E_RNA)
where:
Base-Base interactions energy: -1261.548
where: short stacking energy: -580.339
Base-Backbone interact. energy: -0.285
local terms energy: -588.781932
where:
bonds (distance) C4'-P energy: -98.724
bonds (distance) P-C4' energy: -115.927
flat angles C4'-P-C4' energy: -120.278
flat angles P-C4'-P energy: -82.300
tors. eta vs tors. theta energy: -171.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1801.233326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.233326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.233326 (E_RNA)
where:
Base-Base interactions energy: -1230.770
where: short stacking energy: -526.060
Base-Backbone interact. energy: -0.364
local terms energy: -570.099130
where:
bonds (distance) C4'-P energy: -104.393
bonds (distance) P-C4' energy: -103.666
flat angles C4'-P-C4' energy: -118.536
flat angles P-C4'-P energy: -83.500
tors. eta vs tors. theta energy: -160.005
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: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1690.210609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.210609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.210609 (E_RNA)
where:
Base-Base interactions energy: -1165.037
where: short stacking energy: -493.856
Base-Backbone interact. energy: -1.888
local terms energy: -523.285161
where:
bonds (distance) C4'-P energy: -98.031
bonds (distance) P-C4' energy: -113.700
flat angles C4'-P-C4' energy: -108.767
flat angles P-C4'-P energy: -71.164
tors. eta vs tors. theta energy: -131.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1597.793892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.793892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.793892 (E_RNA)
where:
Base-Base interactions energy: -1081.925
where: short stacking energy: -474.561
Base-Backbone interact. energy: 0.478
local terms energy: -516.346140
where:
bonds (distance) C4'-P energy: -97.329
bonds (distance) P-C4' energy: -101.077
flat angles C4'-P-C4' energy: -113.955
flat angles P-C4'-P energy: -77.332
tors. eta vs tors. theta energy: -126.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1492.207304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.207304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.207304 (E_RNA)
where:
Base-Base interactions energy: -1001.291
where: short stacking energy: -431.150
Base-Backbone interact. energy: 0.889
local terms energy: -491.805484
where:
bonds (distance) C4'-P energy: -102.004
bonds (distance) P-C4' energy: -102.669
flat angles C4'-P-C4' energy: -101.560
flat angles P-C4'-P energy: -66.442
tors. eta vs tors. theta energy: -119.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1385.137434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.137434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.137434 (E_RNA)
where:
Base-Base interactions energy: -918.478
where: short stacking energy: -398.846
Base-Backbone interact. energy: -3.123
local terms energy: -463.536407
where:
bonds (distance) C4'-P energy: -101.967
bonds (distance) P-C4' energy: -81.073
flat angles C4'-P-C4' energy: -109.242
flat angles P-C4'-P energy: -67.484
tors. eta vs tors. theta energy: -103.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1283.940257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.940257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.940257 (E_RNA)
where:
Base-Base interactions energy: -849.280
where: short stacking energy: -359.292
Base-Backbone interact. energy: 3.829
local terms energy: -438.488833
where:
bonds (distance) C4'-P energy: -90.461
bonds (distance) P-C4' energy: -91.243
flat angles C4'-P-C4' energy: -104.646
flat angles P-C4'-P energy: -64.397
tors. eta vs tors. theta energy: -87.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1101.351464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.351464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.351464 (E_RNA)
where:
Base-Base interactions energy: -712.426
where: short stacking energy: -308.981
Base-Backbone interact. energy: 1.688
local terms energy: -390.612785
where:
bonds (distance) C4'-P energy: -89.538
bonds (distance) P-C4' energy: -92.811
flat angles C4'-P-C4' energy: -78.300
flat angles P-C4'-P energy: -57.958
tors. eta vs tors. theta energy: -72.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -745.327103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.327103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.327103 (E_RNA)
where:
Base-Base interactions energy: -418.600
where: short stacking energy: -218.234
Base-Backbone interact. energy: 3.234
local terms energy: -329.961679
where:
bonds (distance) C4'-P energy: -70.860
bonds (distance) P-C4' energy: -94.967
flat angles C4'-P-C4' energy: -83.848
flat angles P-C4'-P energy: -48.668
tors. eta vs tors. theta energy: -31.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -477.471731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.471731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.471731 (E_RNA)
where:
Base-Base interactions energy: -238.346
where: short stacking energy: -141.154
Base-Backbone interact. energy: 0.579
local terms energy: -239.704924
where:
bonds (distance) C4'-P energy: -76.028
bonds (distance) P-C4' energy: -71.168
flat angles C4'-P-C4' energy: -68.703
flat angles P-C4'-P energy: -35.908
tors. eta vs tors. theta energy: 12.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1839.379274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.379274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.379274 (E_RNA)
where:
Base-Base interactions energy: -1265.124
where: short stacking energy: -563.019
Base-Backbone interact. energy: -2.862
local terms energy: -571.393734
where:
bonds (distance) C4'-P energy: -97.755
bonds (distance) P-C4' energy: -102.002
flat angles C4'-P-C4' energy: -115.664
flat angles P-C4'-P energy: -85.893
tors. eta vs tors. theta energy: -170.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1789.187467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.187467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.187467 (E_RNA)
where:
Base-Base interactions energy: -1241.271
where: short stacking energy: -536.352
Base-Backbone interact. energy: -0.875
local terms energy: -547.042122
where:
bonds (distance) C4'-P energy: -102.556
bonds (distance) P-C4' energy: -109.058
flat angles C4'-P-C4' energy: -108.726
flat angles P-C4'-P energy: -70.562
tors. eta vs tors. theta energy: -156.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1719.915177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.915177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.915177 (E_RNA)
where:
Base-Base interactions energy: -1170.656
where: short stacking energy: -485.939
Base-Backbone interact. energy: -4.129
local terms energy: -545.130020
where:
bonds (distance) C4'-P energy: -106.589
bonds (distance) P-C4' energy: -104.527
flat angles C4'-P-C4' energy: -112.833
flat angles P-C4'-P energy: -78.245
tors. eta vs tors. theta energy: -142.935
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: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1609.783985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.783985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.783985 (E_RNA)
where:
Base-Base interactions energy: -1095.931
where: short stacking energy: -466.733
Base-Backbone interact. energy: 5.372
local terms energy: -519.225582
where:
bonds (distance) C4'-P energy: -90.749
bonds (distance) P-C4' energy: -102.141
flat angles C4'-P-C4' energy: -116.039
flat angles P-C4'-P energy: -87.062
tors. eta vs tors. theta energy: -123.235
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: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1442.907533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.907533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.907533 (E_RNA)
where:
Base-Base interactions energy: -950.612
where: short stacking energy: -440.388
Base-Backbone interact. energy: -2.166
local terms energy: -490.129403
where:
bonds (distance) C4'-P energy: -95.833
bonds (distance) P-C4' energy: -105.595
flat angles C4'-P-C4' energy: -104.603
flat angles P-C4'-P energy: -68.483
tors. eta vs tors. theta energy: -115.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1423.202894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.202894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.202894 (E_RNA)
where:
Base-Base interactions energy: -975.419
where: short stacking energy: -431.396
Base-Backbone interact. energy: -3.754
local terms energy: -444.029914
where:
bonds (distance) C4'-P energy: -83.805
bonds (distance) P-C4' energy: -77.205
flat angles C4'-P-C4' energy: -111.331
flat angles P-C4'-P energy: -58.405
tors. eta vs tors. theta energy: -113.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1287.302758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.302758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.302758 (E_RNA)
where:
Base-Base interactions energy: -872.625
where: short stacking energy: -366.499
Base-Backbone interact. energy: -2.531
local terms energy: -412.147008
where:
bonds (distance) C4'-P energy: -88.403
bonds (distance) P-C4' energy: -92.598
flat angles C4'-P-C4' energy: -88.775
flat angles P-C4'-P energy: -64.636
tors. eta vs tors. theta energy: -77.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1092.407760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.407760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.407760 (E_RNA)
where:
Base-Base interactions energy: -695.218
where: short stacking energy: -305.905
Base-Backbone interact. energy: -2.267
local terms energy: -394.923093
where:
bonds (distance) C4'-P energy: -92.607
bonds (distance) P-C4' energy: -82.883
flat angles C4'-P-C4' energy: -97.505
flat angles P-C4'-P energy: -57.236
tors. eta vs tors. theta energy: -64.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -776.130550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.130550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.130550 (E_RNA)
where:
Base-Base interactions energy: -421.365
where: short stacking energy: -211.572
Base-Backbone interact. energy: 3.156
local terms energy: -357.921106
where:
bonds (distance) C4'-P energy: -88.660
bonds (distance) P-C4' energy: -88.036
flat angles C4'-P-C4' energy: -98.617
flat angles P-C4'-P energy: -55.207
tors. eta vs tors. theta energy: -27.401
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: 430
Temperature: 1.350000
Total energy: -530.685150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.685150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.685150 (E_RNA)
where:
Base-Base interactions energy: -220.199
where: short stacking energy: -154.731
Base-Backbone interact. energy: -1.408
local terms energy: -309.078616
where:
bonds (distance) C4'-P energy: -102.579
bonds (distance) P-C4' energy: -67.707
flat angles C4'-P-C4' energy: -95.182
flat angles P-C4'-P energy: -39.965
tors. eta vs tors. theta energy: -3.645
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: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1866.337737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.337737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.337737 (E_RNA)
where:
Base-Base interactions energy: -1283.271
where: short stacking energy: -588.827
Base-Backbone interact. energy: -1.682
local terms energy: -581.384348
where:
bonds (distance) C4'-P energy: -98.650
bonds (distance) P-C4' energy: -118.766
flat angles C4'-P-C4' energy: -126.533
flat angles P-C4'-P energy: -67.654
tors. eta vs tors. theta energy: -169.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1787.649678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.649678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.649678 (E_RNA)
where:
Base-Base interactions energy: -1227.540
where: short stacking energy: -544.529
Base-Backbone interact. energy: -3.759
local terms energy: -556.351100
where:
bonds (distance) C4'-P energy: -92.595
bonds (distance) P-C4' energy: -103.197
flat angles C4'-P-C4' energy: -119.340
flat angles P-C4'-P energy: -87.689
tors. eta vs tors. theta energy: -153.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1710.036673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.036673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.036673 (E_RNA)
where:
Base-Base interactions energy: -1181.173
where: short stacking energy: -490.751
Base-Backbone interact. energy: -2.122
local terms energy: -526.742117
where:
bonds (distance) C4'-P energy: -100.565
bonds (distance) P-C4' energy: -102.846
flat angles C4'-P-C4' energy: -107.951
flat angles P-C4'-P energy: -72.047
tors. eta vs tors. theta energy: -143.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1609.206339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.206339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.206339 (E_RNA)
where:
Base-Base interactions energy: -1109.533
where: short stacking energy: -479.919
Base-Backbone interact. energy: -0.659
local terms energy: -499.015022
where:
bonds (distance) C4'-P energy: -95.595
bonds (distance) P-C4' energy: -105.117
flat angles C4'-P-C4' energy: -110.464
flat angles P-C4'-P energy: -68.655
tors. eta vs tors. theta energy: -119.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1467.986824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.986824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.986824 (E_RNA)
where:
Base-Base interactions energy: -988.484
where: short stacking energy: -436.062
Base-Backbone interact. energy: -1.741
local terms energy: -477.761691
where:
bonds (distance) C4'-P energy: -88.436
bonds (distance) P-C4' energy: -86.041
flat angles C4'-P-C4' energy: -109.471
flat angles P-C4'-P energy: -73.193
tors. eta vs tors. theta energy: -120.621
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: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1432.276717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.276717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.276717 (E_RNA)
where:
Base-Base interactions energy: -969.276
where: short stacking energy: -423.279
Base-Backbone interact. energy: 1.856
local terms energy: -464.856412
where:
bonds (distance) C4'-P energy: -86.123
bonds (distance) P-C4' energy: -86.569
flat angles C4'-P-C4' energy: -108.690
flat angles P-C4'-P energy: -66.438
tors. eta vs tors. theta energy: -117.038
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: 7, replica: 4
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1297.960848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.960848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.960848 (E_RNA)
where:
Base-Base interactions energy: -862.130
where: short stacking energy: -365.820
Base-Backbone interact. energy: -1.317
local terms energy: -434.513844
where:
bonds (distance) C4'-P energy: -88.190
bonds (distance) P-C4' energy: -97.940
flat angles C4'-P-C4' energy: -95.394
flat angles P-C4'-P energy: -72.197
tors. eta vs tors. theta energy: -80.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1062.672621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.672621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.672621 (E_RNA)
where:
Base-Base interactions energy: -672.331
where: short stacking energy: -296.862
Base-Backbone interact. energy: 0.543
local terms energy: -390.885525
where:
bonds (distance) C4'-P energy: -76.523
bonds (distance) P-C4' energy: -91.834
flat angles C4'-P-C4' energy: -100.949
flat angles P-C4'-P energy: -68.553
tors. eta vs tors. theta energy: -53.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -738.423690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.423690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.423690 (E_RNA)
where:
Base-Base interactions energy: -422.083
where: short stacking energy: -208.421
Base-Backbone interact. energy: 1.545
local terms energy: -317.885728
where:
bonds (distance) C4'-P energy: -80.596
bonds (distance) P-C4' energy: -90.412
flat angles C4'-P-C4' energy: -88.182
flat angles P-C4'-P energy: -38.097
tors. eta vs tors. theta energy: -20.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -515.371730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.371730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.371730 (E_RNA)
where:
Base-Base interactions energy: -205.445
where: short stacking energy: -143.737
Base-Backbone interact. energy: 0.350
local terms energy: -310.276488
where:
bonds (distance) C4'-P energy: -73.054
bonds (distance) P-C4' energy: -103.127
flat angles C4'-P-C4' energy: -79.440
flat angles P-C4'-P energy: -50.238
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1868.426394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.426394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.426394 (E_RNA)
where:
Base-Base interactions energy: -1280.442
where: short stacking energy: -587.458
Base-Backbone interact. energy: -2.845
local terms energy: -585.140110
where:
bonds (distance) C4'-P energy: -107.658
bonds (distance) P-C4' energy: -94.542
flat angles C4'-P-C4' energy: -126.184
flat angles P-C4'-P energy: -82.463
tors. eta vs tors. theta energy: -174.294
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: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1810.614647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.614647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.614647 (E_RNA)
where:
Base-Base interactions energy: -1230.812
where: short stacking energy: -542.687
Base-Backbone interact. energy: -1.601
local terms energy: -578.202146
where:
bonds (distance) C4'-P energy: -98.629
bonds (distance) P-C4' energy: -113.193
flat angles C4'-P-C4' energy: -114.168
flat angles P-C4'-P energy: -87.980
tors. eta vs tors. theta energy: -164.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1687.744654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.744654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.744654 (E_RNA)
where:
Base-Base interactions energy: -1147.983
where: short stacking energy: -474.479
Base-Backbone interact. energy: -2.960
local terms energy: -536.802044
where:
bonds (distance) C4'-P energy: -98.986
bonds (distance) P-C4' energy: -109.634
flat angles C4'-P-C4' energy: -110.455
flat angles P-C4'-P energy: -77.826
tors. eta vs tors. theta energy: -139.901
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: 9
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1598.394384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.394384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.394384 (E_RNA)
where:
Base-Base interactions energy: -1077.468
where: short stacking energy: -473.562
Base-Backbone interact. energy: -2.313
local terms energy: -518.612944
where:
bonds (distance) C4'-P energy: -104.086
bonds (distance) P-C4' energy: -96.907
flat angles C4'-P-C4' energy: -111.429
flat angles P-C4'-P energy: -79.114
tors. eta vs tors. theta energy: -127.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1437.741271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.741271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.741271 (E_RNA)
where:
Base-Base interactions energy: -957.784
where: short stacking energy: -426.313
Base-Backbone interact. energy: 0.072
local terms energy: -480.029204
where:
bonds (distance) C4'-P energy: -97.617
bonds (distance) P-C4' energy: -95.712
flat angles C4'-P-C4' energy: -97.546
flat angles P-C4'-P energy: -81.334
tors. eta vs tors. theta energy: -107.820
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: 6
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1459.968007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.968007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.968007 (E_RNA)
where:
Base-Base interactions energy: -988.162
where: short stacking energy: -414.292
Base-Backbone interact. energy: -0.348
local terms energy: -471.457880
where:
bonds (distance) C4'-P energy: -96.154
bonds (distance) P-C4' energy: -87.888
flat angles C4'-P-C4' energy: -113.774
flat angles P-C4'-P energy: -66.186
tors. eta vs tors. theta energy: -107.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1312.566731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.566731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.566731 (E_RNA)
where:
Base-Base interactions energy: -891.331
where: short stacking energy: -386.217
Base-Backbone interact. energy: -2.219
local terms energy: -419.016566
where:
bonds (distance) C4'-P energy: -86.832
bonds (distance) P-C4' energy: -80.831
flat angles C4'-P-C4' energy: -108.629
flat angles P-C4'-P energy: -51.095
tors. eta vs tors. theta energy: -91.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -966.416230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.416230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.416230 (E_RNA)
where:
Base-Base interactions energy: -607.412
where: short stacking energy: -274.821
Base-Backbone interact. energy: -1.277
local terms energy: -357.727773
where:
bonds (distance) C4'-P energy: -96.820
bonds (distance) P-C4' energy: -97.758
flat angles C4'-P-C4' energy: -91.079
flat angles P-C4'-P energy: -40.297
tors. eta vs tors. theta energy: -31.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -752.734086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.734086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.734086 (E_RNA)
where:
Base-Base interactions energy: -399.426
where: short stacking energy: -206.372
Base-Backbone interact. energy: 2.877
local terms energy: -356.184771
where:
bonds (distance) C4'-P energy: -89.093
bonds (distance) P-C4' energy: -97.551
flat angles C4'-P-C4' energy: -78.249
flat angles P-C4'-P energy: -48.829
tors. eta vs tors. theta energy: -42.463
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: 432
Temperature: 1.350000
Total energy: -486.803370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.803370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.803370 (E_RNA)
where:
Base-Base interactions energy: -229.011
where: short stacking energy: -130.432
Base-Backbone interact. energy: 2.118
local terms energy: -259.910729
where:
bonds (distance) C4'-P energy: -78.208
bonds (distance) P-C4' energy: -80.296
flat angles C4'-P-C4' energy: -73.885
flat angles P-C4'-P energy: -44.993
tors. eta vs tors. theta energy: 17.471
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: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1864.419538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.419538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.419538 (E_RNA)
where:
Base-Base interactions energy: -1253.827
where: short stacking energy: -572.019
Base-Backbone interact. energy: -2.550
local terms energy: -608.042430
where:
bonds (distance) C4'-P energy: -111.889
bonds (distance) P-C4' energy: -108.963
flat angles C4'-P-C4' energy: -125.811
flat angles P-C4'-P energy: -88.822
tors. eta vs tors. theta energy: -172.558
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: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1781.405734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.405734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.405734 (E_RNA)
where:
Base-Base interactions energy: -1226.137
where: short stacking energy: -547.396
Base-Backbone interact. energy: -3.077
local terms energy: -552.191876
where:
bonds (distance) C4'-P energy: -96.091
bonds (distance) P-C4' energy: -100.682
flat angles C4'-P-C4' energy: -127.232
flat angles P-C4'-P energy: -70.407
tors. eta vs tors. theta energy: -157.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1703.212145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.212145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.212145 (E_RNA)
where:
Base-Base interactions energy: -1152.633
where: short stacking energy: -480.982
Base-Backbone interact. energy: -1.510
local terms energy: -549.069256
where:
bonds (distance) C4'-P energy: -104.458
bonds (distance) P-C4' energy: -103.307
flat angles C4'-P-C4' energy: -117.292
flat angles P-C4'-P energy: -80.330
tors. eta vs tors. theta energy: -143.682
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: 9
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1618.093835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.093835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.093835 (E_RNA)
where:
Base-Base interactions energy: -1098.539
where: short stacking energy: -472.576
Base-Backbone interact. energy: 0.998
local terms energy: -520.552713
where:
bonds (distance) C4'-P energy: -89.218
bonds (distance) P-C4' energy: -107.026
flat angles C4'-P-C4' energy: -111.488
flat angles P-C4'-P energy: -76.986
tors. eta vs tors. theta energy: -135.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1424.643645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.643645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.643645 (E_RNA)
where:
Base-Base interactions energy: -956.549
where: short stacking energy: -416.353
Base-Backbone interact. energy: 2.034
local terms energy: -470.128881
where:
bonds (distance) C4'-P energy: -88.395
bonds (distance) P-C4' energy: -100.029
flat angles C4'-P-C4' energy: -104.213
flat angles P-C4'-P energy: -70.466
tors. eta vs tors. theta energy: -107.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1527.709392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.709392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.709392 (E_RNA)
where:
Base-Base interactions energy: -1033.040
where: short stacking energy: -422.742
Base-Backbone interact. energy: -1.006
local terms energy: -493.663225
where:
bonds (distance) C4'-P energy: -95.988
bonds (distance) P-C4' energy: -101.140
flat angles C4'-P-C4' energy: -113.428
flat angles P-C4'-P energy: -63.096
tors. eta vs tors. theta energy: -120.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1291.840683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.840683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.840683 (E_RNA)
where:
Base-Base interactions energy: -850.313
where: short stacking energy: -377.005
Base-Backbone interact. energy: 1.212
local terms energy: -442.739945
where:
bonds (distance) C4'-P energy: -100.023
bonds (distance) P-C4' energy: -91.021
flat angles C4'-P-C4' energy: -104.295
flat angles P-C4'-P energy: -53.861
tors. eta vs tors. theta energy: -93.540
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: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1030.454132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.454132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.454132 (E_RNA)
where:
Base-Base interactions energy: -648.628
where: short stacking energy: -288.325
Base-Backbone interact. energy: -1.531
local terms energy: -380.294778
where:
bonds (distance) C4'-P energy: -91.608
bonds (distance) P-C4' energy: -98.526
flat angles C4'-P-C4' energy: -91.087
flat angles P-C4'-P energy: -57.349
tors. eta vs tors. theta energy: -41.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -780.618344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.618344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.618344 (E_RNA)
where:
Base-Base interactions energy: -457.801
where: short stacking energy: -245.164
Base-Backbone interact. energy: 2.062
local terms energy: -324.878957
where:
bonds (distance) C4'-P energy: -87.039
bonds (distance) P-C4' energy: -95.764
flat angles C4'-P-C4' energy: -94.265
flat angles P-C4'-P energy: -27.052
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -474.075718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.075718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.075718 (E_RNA)
where:
Base-Base interactions energy: -211.425
where: short stacking energy: -128.368
Base-Backbone interact. energy: -1.544
local terms energy: -261.106518
where:
bonds (distance) C4'-P energy: -80.807
bonds (distance) P-C4' energy: -84.396
flat angles C4'-P-C4' energy: -68.570
flat angles P-C4'-P energy: -48.553
tors. eta vs tors. theta energy: 21.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1874.028337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.028337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.028337 (E_RNA)
where:
Base-Base interactions energy: -1273.197
where: short stacking energy: -566.335
Base-Backbone interact. energy: -0.538
local terms energy: -600.293498
where:
bonds (distance) C4'-P energy: -109.917
bonds (distance) P-C4' energy: -108.176
flat angles C4'-P-C4' energy: -134.287
flat angles P-C4'-P energy: -78.371
tors. eta vs tors. theta energy: -169.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1815.911610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.911610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.911610 (E_RNA)
where:
Base-Base interactions energy: -1254.711
where: short stacking energy: -528.797
Base-Backbone interact. energy: -1.742
local terms energy: -559.458751
where:
bonds (distance) C4'-P energy: -100.050
bonds (distance) P-C4' energy: -98.515
flat angles C4'-P-C4' energy: -123.478
flat angles P-C4'-P energy: -83.634
tors. eta vs tors. theta energy: -153.782
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: 3, replica: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1670.153011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.153011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.153011 (E_RNA)
where:
Base-Base interactions energy: -1126.778
where: short stacking energy: -494.286
Base-Backbone interact. energy: -2.636
local terms energy: -540.738789
where:
bonds (distance) C4'-P energy: -93.946
bonds (distance) P-C4' energy: -118.713
flat angles C4'-P-C4' energy: -113.531
flat angles P-C4'-P energy: -78.307
tors. eta vs tors. theta energy: -136.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1654.653429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.653429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.653429 (E_RNA)
where:
Base-Base interactions energy: -1137.371
where: short stacking energy: -447.428
Base-Backbone interact. energy: -3.312
local terms energy: -513.970767
where:
bonds (distance) C4'-P energy: -101.434
bonds (distance) P-C4' energy: -102.140
flat angles C4'-P-C4' energy: -119.283
flat angles P-C4'-P energy: -67.096
tors. eta vs tors. theta energy: -124.018
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: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1522.057511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.057511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.057511 (E_RNA)
where:
Base-Base interactions energy: -1007.477
where: short stacking energy: -427.555
Base-Backbone interact. energy: -1.550
local terms energy: -513.031006
where:
bonds (distance) C4'-P energy: -94.697
bonds (distance) P-C4' energy: -103.715
flat angles C4'-P-C4' energy: -112.338
flat angles P-C4'-P energy: -90.021
tors. eta vs tors. theta energy: -112.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1400.910338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.910338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.910338 (E_RNA)
where:
Base-Base interactions energy: -928.372
where: short stacking energy: -406.709
Base-Backbone interact. energy: 0.270
local terms energy: -472.808101
where:
bonds (distance) C4'-P energy: -102.487
bonds (distance) P-C4' energy: -77.110
flat angles C4'-P-C4' energy: -98.960
flat angles P-C4'-P energy: -69.330
tors. eta vs tors. theta energy: -124.922
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: 4
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1331.574444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.574444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.574444 (E_RNA)
where:
Base-Base interactions energy: -914.402
where: short stacking energy: -373.357
Base-Backbone interact. energy: 3.379
local terms energy: -420.552139
where:
bonds (distance) C4'-P energy: -89.245
bonds (distance) P-C4' energy: -84.119
flat angles C4'-P-C4' energy: -92.207
flat angles P-C4'-P energy: -65.755
tors. eta vs tors. theta energy: -89.227
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: 3
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1083.800514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.800514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.800514 (E_RNA)
where:
Base-Base interactions energy: -685.341
where: short stacking energy: -287.934
Base-Backbone interact. energy: 3.067
local terms energy: -401.526748
where:
bonds (distance) C4'-P energy: -90.487
bonds (distance) P-C4' energy: -90.080
flat angles C4'-P-C4' energy: -104.018
flat angles P-C4'-P energy: -63.012
tors. eta vs tors. theta energy: -53.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -797.210194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.210194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.210194 (E_RNA)
where:
Base-Base interactions energy: -433.809
where: short stacking energy: -233.510
Base-Backbone interact. energy: 0.877
local terms energy: -364.278221
where:
bonds (distance) C4'-P energy: -99.393
bonds (distance) P-C4' energy: -79.756
flat angles C4'-P-C4' energy: -86.134
flat angles P-C4'-P energy: -73.518
tors. eta vs tors. theta energy: -25.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -446.362225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.362225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.362225 (E_RNA)
where:
Base-Base interactions energy: -182.921
where: short stacking energy: -113.529
Base-Backbone interact. energy: -0.159
local terms energy: -263.282989
where:
bonds (distance) C4'-P energy: -97.540
bonds (distance) P-C4' energy: -89.061
flat angles C4'-P-C4' energy: -67.933
flat angles P-C4'-P energy: -38.060
tors. eta vs tors. theta energy: 29.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1866.975555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.975555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.975555 (E_RNA)
where:
Base-Base interactions energy: -1265.909
where: short stacking energy: -566.466
Base-Backbone interact. energy: -0.637
local terms energy: -600.429938
where:
bonds (distance) C4'-P energy: -110.417
bonds (distance) P-C4' energy: -111.025
flat angles C4'-P-C4' energy: -128.870
flat angles P-C4'-P energy: -92.342
tors. eta vs tors. theta energy: -157.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1790.647097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.647097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.647097 (E_RNA)
where:
Base-Base interactions energy: -1240.588
where: short stacking energy: -525.771
Base-Backbone interact. energy: -0.450
local terms energy: -549.609111
where:
bonds (distance) C4'-P energy: -101.453
bonds (distance) P-C4' energy: -107.895
flat angles C4'-P-C4' energy: -118.679
flat angles P-C4'-P energy: -76.523
tors. eta vs tors. theta energy: -145.059
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: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1702.359585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.359585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.359585 (E_RNA)
where:
Base-Base interactions energy: -1132.931
where: short stacking energy: -482.239
Base-Backbone interact. energy: -1.967
local terms energy: -567.462321
where:
bonds (distance) C4'-P energy: -104.227
bonds (distance) P-C4' energy: -118.262
flat angles C4'-P-C4' energy: -123.955
flat angles P-C4'-P energy: -82.927
tors. eta vs tors. theta energy: -138.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1643.512103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.512103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.512103 (E_RNA)
where:
Base-Base interactions energy: -1118.599
where: short stacking energy: -466.117
Base-Backbone interact. energy: -3.258
local terms energy: -521.656000
where:
bonds (distance) C4'-P energy: -95.660
bonds (distance) P-C4' energy: -102.362
flat angles C4'-P-C4' energy: -107.321
flat angles P-C4'-P energy: -75.218
tors. eta vs tors. theta energy: -141.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1489.866236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.866236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.866236 (E_RNA)
where:
Base-Base interactions energy: -1003.796
where: short stacking energy: -439.270
Base-Backbone interact. energy: -4.145
local terms energy: -481.925162
where:
bonds (distance) C4'-P energy: -98.333
bonds (distance) P-C4' energy: -98.968
flat angles C4'-P-C4' energy: -109.178
flat angles P-C4'-P energy: -62.546
tors. eta vs tors. theta energy: -112.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1375.974249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.974249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.974249 (E_RNA)
where:
Base-Base interactions energy: -920.367
where: short stacking energy: -388.818
Base-Backbone interact. energy: 1.476
local terms energy: -457.083404
where:
bonds (distance) C4'-P energy: -84.970
bonds (distance) P-C4' energy: -101.285
flat angles C4'-P-C4' energy: -106.619
flat angles P-C4'-P energy: -71.256
tors. eta vs tors. theta energy: -92.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1343.832399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.832399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.832399 (E_RNA)
where:
Base-Base interactions energy: -928.077
where: short stacking energy: -376.043
Base-Backbone interact. energy: 4.349
local terms energy: -420.104883
where:
bonds (distance) C4'-P energy: -92.770
bonds (distance) P-C4' energy: -83.708
flat angles C4'-P-C4' energy: -86.647
flat angles P-C4'-P energy: -64.857
tors. eta vs tors. theta energy: -92.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1105.198715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.198715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.198715 (E_RNA)
where:
Base-Base interactions energy: -707.970
where: short stacking energy: -309.115
Base-Backbone interact. energy: -1.404
local terms energy: -395.824967
where:
bonds (distance) C4'-P energy: -82.403
bonds (distance) P-C4' energy: -98.377
flat angles C4'-P-C4' energy: -107.799
flat angles P-C4'-P energy: -46.390
tors. eta vs tors. theta energy: -60.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -807.118494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.118494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.118494 (E_RNA)
where:
Base-Base interactions energy: -482.229
where: short stacking energy: -222.774
Base-Backbone interact. energy: 1.804
local terms energy: -326.693399
where:
bonds (distance) C4'-P energy: -79.989
bonds (distance) P-C4' energy: -89.401
flat angles C4'-P-C4' energy: -79.248
flat angles P-C4'-P energy: -45.422
tors. eta vs tors. theta energy: -32.633
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: 435
Temperature: 1.350000
Total energy: -430.785133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.785133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.785133 (E_RNA)
where:
Base-Base interactions energy: -171.976
where: short stacking energy: -148.905
Base-Backbone interact. energy: 10.273
local terms energy: -269.083006
where:
bonds (distance) C4'-P energy: -62.096
bonds (distance) P-C4' energy: -84.009
flat angles C4'-P-C4' energy: -74.383
flat angles P-C4'-P energy: -56.161
tors. eta vs tors. theta energy: 7.565
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: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1845.982378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.982378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.982378 (E_RNA)
where:
Base-Base interactions energy: -1250.266
where: short stacking energy: -567.785
Base-Backbone interact. energy: -2.712
local terms energy: -593.004258
where:
bonds (distance) C4'-P energy: -110.787
bonds (distance) P-C4' energy: -112.532
flat angles C4'-P-C4' energy: -125.570
flat angles P-C4'-P energy: -79.975
tors. eta vs tors. theta energy: -164.140
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: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1791.300364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.300364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.300364 (E_RNA)
where:
Base-Base interactions energy: -1220.360
where: short stacking energy: -542.373
Base-Backbone interact. energy: -2.295
local terms energy: -568.645540
where:
bonds (distance) C4'-P energy: -99.336
bonds (distance) P-C4' energy: -102.558
flat angles C4'-P-C4' energy: -126.924
flat angles P-C4'-P energy: -86.354
tors. eta vs tors. theta energy: -153.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1731.344896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.344896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.344896 (E_RNA)
where:
Base-Base interactions energy: -1185.802
where: short stacking energy: -479.756
Base-Backbone interact. energy: 6.496
local terms energy: -552.039005
where:
bonds (distance) C4'-P energy: -97.132
bonds (distance) P-C4' energy: -110.493
flat angles C4'-P-C4' energy: -124.909
flat angles P-C4'-P energy: -78.348
tors. eta vs tors. theta energy: -141.157
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: 9
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1637.959482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.959482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.959482 (E_RNA)
where:
Base-Base interactions energy: -1109.359
where: short stacking energy: -460.929
Base-Backbone interact. energy: 0.386
local terms energy: -528.986394
where:
bonds (distance) C4'-P energy: -94.751
bonds (distance) P-C4' energy: -103.385
flat angles C4'-P-C4' energy: -115.763
flat angles P-C4'-P energy: -74.768
tors. eta vs tors. theta energy: -140.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1513.766081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.766081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.766081 (E_RNA)
where:
Base-Base interactions energy: -1016.011
where: short stacking energy: -428.978
Base-Backbone interact. energy: -3.733
local terms energy: -494.022884
where:
bonds (distance) C4'-P energy: -89.826
bonds (distance) P-C4' energy: -86.578
flat angles C4'-P-C4' energy: -112.883
flat angles P-C4'-P energy: -82.390
tors. eta vs tors. theta energy: -122.346
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: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1446.102454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.102454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.102454 (E_RNA)
where:
Base-Base interactions energy: -987.496
where: short stacking energy: -423.506
Base-Backbone interact. energy: 0.757
local terms energy: -459.363240
where:
bonds (distance) C4'-P energy: -95.272
bonds (distance) P-C4' energy: -96.564
flat angles C4'-P-C4' energy: -105.987
flat angles P-C4'-P energy: -40.460
tors. eta vs tors. theta energy: -121.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1291.479978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.479978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.479978 (E_RNA)
where:
Base-Base interactions energy: -871.110
where: short stacking energy: -374.693
Base-Backbone interact. energy: -1.549
local terms energy: -418.821440
where:
bonds (distance) C4'-P energy: -82.792
bonds (distance) P-C4' energy: -101.809
flat angles C4'-P-C4' energy: -94.495
flat angles P-C4'-P energy: -62.170
tors. eta vs tors. theta energy: -77.556
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: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1032.972895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.972895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.972895 (E_RNA)
where:
Base-Base interactions energy: -669.591
where: short stacking energy: -308.059
Base-Backbone interact. energy: 0.145
local terms energy: -363.526551
where:
bonds (distance) C4'-P energy: -79.382
bonds (distance) P-C4' energy: -95.487
flat angles C4'-P-C4' energy: -83.514
flat angles P-C4'-P energy: -66.272
tors. eta vs tors. theta energy: -38.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -776.328816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.328816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.328816 (E_RNA)
where:
Base-Base interactions energy: -420.525
where: short stacking energy: -238.683
Base-Backbone interact. energy: -0.260
local terms energy: -355.544400
where:
bonds (distance) C4'-P energy: -98.844
bonds (distance) P-C4' energy: -101.439
flat angles C4'-P-C4' energy: -78.463
flat angles P-C4'-P energy: -51.740
tors. eta vs tors. theta energy: -25.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -436.795340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.795340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.795340 (E_RNA)
where:
Base-Base interactions energy: -141.136
where: short stacking energy: -103.093
Base-Backbone interact. energy: -4.106
local terms energy: -291.552987
where:
bonds (distance) C4'-P energy: -88.930
bonds (distance) P-C4' energy: -102.778
flat angles C4'-P-C4' energy: -74.263
flat angles P-C4'-P energy: -48.015
tors. eta vs tors. theta energy: 22.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1834.455387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.455387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.455387 (E_RNA)
where:
Base-Base interactions energy: -1233.222
where: short stacking energy: -550.585
Base-Backbone interact. energy: -2.412
local terms energy: -598.822227
where:
bonds (distance) C4'-P energy: -114.732
bonds (distance) P-C4' energy: -122.383
flat angles C4'-P-C4' energy: -115.097
flat angles P-C4'-P energy: -86.717
tors. eta vs tors. theta energy: -159.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1769.974056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.974056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.974056 (E_RNA)
where:
Base-Base interactions energy: -1208.973
where: short stacking energy: -536.276
Base-Backbone interact. energy: 1.104
local terms energy: -562.104729
where:
bonds (distance) C4'-P energy: -93.052
bonds (distance) P-C4' energy: -106.742
flat angles C4'-P-C4' energy: -121.641
flat angles P-C4'-P energy: -80.427
tors. eta vs tors. theta energy: -160.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1688.776224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.776224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.776224 (E_RNA)
where:
Base-Base interactions energy: -1170.367
where: short stacking energy: -480.531
Base-Backbone interact. energy: -1.254
local terms energy: -517.156050
where:
bonds (distance) C4'-P energy: -98.266
bonds (distance) P-C4' energy: -102.562
flat angles C4'-P-C4' energy: -103.526
flat angles P-C4'-P energy: -75.904
tors. eta vs tors. theta energy: -136.898
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: 9
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1624.085008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.085008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.085008 (E_RNA)
where:
Base-Base interactions energy: -1125.019
where: short stacking energy: -480.003
Base-Backbone interact. energy: 0.017
local terms energy: -499.082506
where:
bonds (distance) C4'-P energy: -101.478
bonds (distance) P-C4' energy: -94.044
flat angles C4'-P-C4' energy: -104.652
flat angles P-C4'-P energy: -64.145
tors. eta vs tors. theta energy: -134.763
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: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1484.990875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.990875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.990875 (E_RNA)
where:
Base-Base interactions energy: -982.000
where: short stacking energy: -406.893
Base-Backbone interact. energy: -2.505
local terms energy: -500.485587
where:
bonds (distance) C4'-P energy: -102.391
bonds (distance) P-C4' energy: -110.472
flat angles C4'-P-C4' energy: -107.366
flat angles P-C4'-P energy: -74.415
tors. eta vs tors. theta energy: -105.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1387.101106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.101106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.101106 (E_RNA)
where:
Base-Base interactions energy: -944.253
where: short stacking energy: -399.327
Base-Backbone interact. energy: -1.281
local terms energy: -441.567042
where:
bonds (distance) C4'-P energy: -83.855
bonds (distance) P-C4' energy: -78.041
flat angles C4'-P-C4' energy: -105.617
flat angles P-C4'-P energy: -72.036
tors. eta vs tors. theta energy: -102.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1319.905820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.905820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.905820 (E_RNA)
where:
Base-Base interactions energy: -852.308
where: short stacking energy: -359.340
Base-Backbone interact. energy: -1.812
local terms energy: -465.786274
where:
bonds (distance) C4'-P energy: -85.592
bonds (distance) P-C4' energy: -102.451
flat angles C4'-P-C4' energy: -108.565
flat angles P-C4'-P energy: -62.391
tors. eta vs tors. theta energy: -106.788
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: 3
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1078.322529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.322529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.322529 (E_RNA)
where:
Base-Base interactions energy: -673.189
where: short stacking energy: -307.298
Base-Backbone interact. energy: -2.940
local terms energy: -402.193639
where:
bonds (distance) C4'-P energy: -96.816
bonds (distance) P-C4' energy: -102.806
flat angles C4'-P-C4' energy: -92.774
flat angles P-C4'-P energy: -47.438
tors. eta vs tors. theta energy: -62.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -776.560280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.560280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.560280 (E_RNA)
where:
Base-Base interactions energy: -452.275
where: short stacking energy: -248.765
Base-Backbone interact. energy: 1.464
local terms energy: -325.749958
where:
bonds (distance) C4'-P energy: -77.004
bonds (distance) P-C4' energy: -90.064
flat angles C4'-P-C4' energy: -83.509
flat angles P-C4'-P energy: -42.044
tors. eta vs tors. theta energy: -33.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -523.149722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.149722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.149722 (E_RNA)
where:
Base-Base interactions energy: -240.565
where: short stacking energy: -161.075
Base-Backbone interact. energy: -0.461
local terms energy: -282.123836
where:
bonds (distance) C4'-P energy: -82.147
bonds (distance) P-C4' energy: -88.805
flat angles C4'-P-C4' energy: -72.789
flat angles P-C4'-P energy: -38.053
tors. eta vs tors. theta energy: -0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1836.093069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.093069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.093069 (E_RNA)
where:
Base-Base interactions energy: -1227.268
where: short stacking energy: -534.627
Base-Backbone interact. energy: -1.749
local terms energy: -607.075867
where:
bonds (distance) C4'-P energy: -108.957
bonds (distance) P-C4' energy: -113.734
flat angles C4'-P-C4' energy: -129.056
flat angles P-C4'-P energy: -86.551
tors. eta vs tors. theta energy: -168.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1770.129927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.129927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.129927 (E_RNA)
where:
Base-Base interactions energy: -1210.530
where: short stacking energy: -521.211
Base-Backbone interact. energy: 2.542
local terms energy: -562.141680
where:
bonds (distance) C4'-P energy: -112.132
bonds (distance) P-C4' energy: -89.411
flat angles C4'-P-C4' energy: -125.728
flat angles P-C4'-P energy: -82.511
tors. eta vs tors. theta energy: -152.360
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: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1706.342146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.342146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.342146 (E_RNA)
where:
Base-Base interactions energy: -1196.955
where: short stacking energy: -489.084
Base-Backbone interact. energy: -4.451
local terms energy: -504.936371
where:
bonds (distance) C4'-P energy: -93.879
bonds (distance) P-C4' energy: -94.250
flat angles C4'-P-C4' energy: -110.478
flat angles P-C4'-P energy: -70.116
tors. eta vs tors. theta energy: -136.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1592.004002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.004002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.004002 (E_RNA)
where:
Base-Base interactions energy: -1102.264
where: short stacking energy: -450.115
Base-Backbone interact. energy: -2.646
local terms energy: -487.094913
where:
bonds (distance) C4'-P energy: -94.031
bonds (distance) P-C4' energy: -95.578
flat angles C4'-P-C4' energy: -112.259
flat angles P-C4'-P energy: -62.593
tors. eta vs tors. theta energy: -122.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1411.310434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.310434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.310434 (E_RNA)
where:
Base-Base interactions energy: -953.401
where: short stacking energy: -391.889
Base-Backbone interact. energy: -3.083
local terms energy: -454.826554
where:
bonds (distance) C4'-P energy: -104.011
bonds (distance) P-C4' energy: -105.332
flat angles C4'-P-C4' energy: -87.716
flat angles P-C4'-P energy: -66.259
tors. eta vs tors. theta energy: -91.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1383.416728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.416728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.416728 (E_RNA)
where:
Base-Base interactions energy: -925.305
where: short stacking energy: -409.015
Base-Backbone interact. energy: 4.086
local terms energy: -462.197797
where:
bonds (distance) C4'-P energy: -91.282
bonds (distance) P-C4' energy: -89.373
flat angles C4'-P-C4' energy: -100.239
flat angles P-C4'-P energy: -71.534
tors. eta vs tors. theta energy: -109.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1328.814729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.814729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.814729 (E_RNA)
where:
Base-Base interactions energy: -884.961
where: short stacking energy: -366.241
Base-Backbone interact. energy: 0.546
local terms energy: -444.399139
where:
bonds (distance) C4'-P energy: -101.860
bonds (distance) P-C4' energy: -93.417
flat angles C4'-P-C4' energy: -83.068
flat angles P-C4'-P energy: -72.790
tors. eta vs tors. theta energy: -93.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1099.119148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.119148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.119148 (E_RNA)
where:
Base-Base interactions energy: -701.256
where: short stacking energy: -321.014
Base-Backbone interact. energy: 0.930
local terms energy: -398.793092
where:
bonds (distance) C4'-P energy: -67.256
bonds (distance) P-C4' energy: -96.623
flat angles C4'-P-C4' energy: -101.671
flat angles P-C4'-P energy: -63.120
tors. eta vs tors. theta energy: -70.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -816.119501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.119501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.119501 (E_RNA)
where:
Base-Base interactions energy: -454.756
where: short stacking energy: -229.931
Base-Backbone interact. energy: 1.313
local terms energy: -362.676851
where:
bonds (distance) C4'-P energy: -92.806
bonds (distance) P-C4' energy: -96.826
flat angles C4'-P-C4' energy: -88.880
flat angles P-C4'-P energy: -46.178
tors. eta vs tors. theta energy: -37.987
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: 438
Temperature: 1.350000
Total energy: -542.004564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.004564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.004564 (E_RNA)
where:
Base-Base interactions energy: -266.829
where: short stacking energy: -157.173
Base-Backbone interact. energy: -1.158
local terms energy: -274.017413
where:
bonds (distance) C4'-P energy: -81.169
bonds (distance) P-C4' energy: -87.194
flat angles C4'-P-C4' energy: -74.310
flat angles P-C4'-P energy: -49.619
tors. eta vs tors. theta energy: 18.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1857.297016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.297016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.297016 (E_RNA)
where:
Base-Base interactions energy: -1293.309
where: short stacking energy: -579.375
Base-Backbone interact. energy: -2.551
local terms energy: -561.436344
where:
bonds (distance) C4'-P energy: -88.258
bonds (distance) P-C4' energy: -112.760
flat angles C4'-P-C4' energy: -113.413
flat angles P-C4'-P energy: -83.243
tors. eta vs tors. theta energy: -163.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1768.071684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.071684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.071684 (E_RNA)
where:
Base-Base interactions energy: -1218.438
where: short stacking energy: -513.318
Base-Backbone interact. energy: -1.805
local terms energy: -547.828604
where:
bonds (distance) C4'-P energy: -106.405
bonds (distance) P-C4' energy: -94.130
flat angles C4'-P-C4' energy: -122.095
flat angles P-C4'-P energy: -82.648
tors. eta vs tors. theta energy: -142.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1722.764165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.764165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.764165 (E_RNA)
where:
Base-Base interactions energy: -1175.743
where: short stacking energy: -530.885
Base-Backbone interact. energy: 1.638
local terms energy: -548.659411
where:
bonds (distance) C4'-P energy: -97.361
bonds (distance) P-C4' energy: -97.298
flat angles C4'-P-C4' energy: -120.302
flat angles P-C4'-P energy: -71.686
tors. eta vs tors. theta energy: -162.013
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: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1609.814286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.814286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.814286 (E_RNA)
where:
Base-Base interactions energy: -1082.149
where: short stacking energy: -459.817
Base-Backbone interact. energy: -5.516
local terms energy: -522.148729
where:
bonds (distance) C4'-P energy: -104.335
bonds (distance) P-C4' energy: -102.710
flat angles C4'-P-C4' energy: -106.814
flat angles P-C4'-P energy: -70.944
tors. eta vs tors. theta energy: -137.346
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: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1449.226246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.226246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.226246 (E_RNA)
where:
Base-Base interactions energy: -963.285
where: short stacking energy: -429.308
Base-Backbone interact. energy: -5.199
local terms energy: -480.742934
where:
bonds (distance) C4'-P energy: -88.330
bonds (distance) P-C4' energy: -108.626
flat angles C4'-P-C4' energy: -103.695
flat angles P-C4'-P energy: -73.795
tors. eta vs tors. theta energy: -106.298
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: 1
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1403.808738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.808738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.808738 (E_RNA)
where:
Base-Base interactions energy: -968.216
where: short stacking energy: -413.781
Base-Backbone interact. energy: -0.759
local terms energy: -434.833323
where:
bonds (distance) C4'-P energy: -82.224
bonds (distance) P-C4' energy: -90.101
flat angles C4'-P-C4' energy: -93.027
flat angles P-C4'-P energy: -65.293
tors. eta vs tors. theta energy: -104.188
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: 439
Temperature: 1.200000
Total energy: -1317.467726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.467726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.467726 (E_RNA)
where:
Base-Base interactions energy: -871.351
where: short stacking energy: -365.163
Base-Backbone interact. energy: 0.364
local terms energy: -446.480970
where:
bonds (distance) C4'-P energy: -89.636
bonds (distance) P-C4' energy: -93.395
flat angles C4'-P-C4' energy: -110.354
flat angles P-C4'-P energy: -61.960
tors. eta vs tors. theta energy: -91.137
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: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1046.690882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.690882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.690882 (E_RNA)
where:
Base-Base interactions energy: -660.587
where: short stacking energy: -307.275
Base-Backbone interact. energy: 2.747
local terms energy: -388.850437
where:
bonds (distance) C4'-P energy: -81.971
bonds (distance) P-C4' energy: -106.224
flat angles C4'-P-C4' energy: -86.270
flat angles P-C4'-P energy: -49.742
tors. eta vs tors. theta energy: -64.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -800.390108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.390108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.390108 (E_RNA)
where:
Base-Base interactions energy: -454.217
where: short stacking energy: -219.619
Base-Backbone interact. energy: -1.059
local terms energy: -345.114246
where:
bonds (distance) C4'-P energy: -80.189
bonds (distance) P-C4' energy: -94.893
flat angles C4'-P-C4' energy: -88.117
flat angles P-C4'-P energy: -48.160
tors. eta vs tors. theta energy: -33.755
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: 439
Temperature: 1.350000
Total energy: -567.477708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.477708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.477708 (E_RNA)
where:
Base-Base interactions energy: -261.574
where: short stacking energy: -152.823
Base-Backbone interact. energy: 0.903
local terms energy: -306.806578
where:
bonds (distance) C4'-P energy: -79.699
bonds (distance) P-C4' energy: -92.418
flat angles C4'-P-C4' energy: -75.489
flat angles P-C4'-P energy: -56.053
tors. eta vs tors. theta energy: -3.148
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: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1843.543558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.543558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.543558 (E_RNA)
where:
Base-Base interactions energy: -1252.625
where: short stacking energy: -533.549
Base-Backbone interact. energy: -4.284
local terms energy: -586.634562
where:
bonds (distance) C4'-P energy: -112.858
bonds (distance) P-C4' energy: -114.391
flat angles C4'-P-C4' energy: -125.427
flat angles P-C4'-P energy: -89.165
tors. eta vs tors. theta energy: -144.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1792.930077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.930077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.930077 (E_RNA)
where:
Base-Base interactions energy: -1192.034
where: short stacking energy: -538.516
Base-Backbone interact. energy: -0.700
local terms energy: -600.195982
where:
bonds (distance) C4'-P energy: -104.861
bonds (distance) P-C4' energy: -115.484
flat angles C4'-P-C4' energy: -134.234
flat angles P-C4'-P energy: -79.302
tors. eta vs tors. theta energy: -166.316
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: 5
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1740.297231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.297231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.297231 (E_RNA)
where:
Base-Base interactions energy: -1185.487
where: short stacking energy: -518.548
Base-Backbone interact. energy: 1.426
local terms energy: -556.236128
where:
bonds (distance) C4'-P energy: -99.594
bonds (distance) P-C4' energy: -108.948
flat angles C4'-P-C4' energy: -125.688
flat angles P-C4'-P energy: -71.518
tors. eta vs tors. theta energy: -150.488
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: 440
Temperature: 1.050000
Total energy: -1627.444450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.444450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.444450 (E_RNA)
where:
Base-Base interactions energy: -1116.103
where: short stacking energy: -456.617
Base-Backbone interact. energy: -0.556
local terms energy: -510.785533
where:
bonds (distance) C4'-P energy: -98.109
bonds (distance) P-C4' energy: -98.535
flat angles C4'-P-C4' energy: -114.545
flat angles P-C4'-P energy: -73.372
tors. eta vs tors. theta energy: -126.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1421.583346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.583346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.583346 (E_RNA)
where:
Base-Base interactions energy: -949.509
where: short stacking energy: -405.078
Base-Backbone interact. energy: -6.532
local terms energy: -465.542476
where:
bonds (distance) C4'-P energy: -108.121
bonds (distance) P-C4' energy: -88.038
flat angles C4'-P-C4' energy: -108.568
flat angles P-C4'-P energy: -67.169
tors. eta vs tors. theta energy: -93.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1422.445128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.445128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.445128 (E_RNA)
where:
Base-Base interactions energy: -973.992
where: short stacking energy: -419.909
Base-Backbone interact. energy: 1.921
local terms energy: -450.374328
where:
bonds (distance) C4'-P energy: -80.293
bonds (distance) P-C4' energy: -92.171
flat angles C4'-P-C4' energy: -104.324
flat angles P-C4'-P energy: -63.581
tors. eta vs tors. theta energy: -110.005
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: 440
Temperature: 1.200000
Total energy: -1299.275357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.275357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.275357 (E_RNA)
where:
Base-Base interactions energy: -865.257
where: short stacking energy: -378.213
Base-Backbone interact. energy: -2.391
local terms energy: -431.626803
where:
bonds (distance) C4'-P energy: -90.501
bonds (distance) P-C4' energy: -79.012
flat angles C4'-P-C4' energy: -104.742
flat angles P-C4'-P energy: -70.386
tors. eta vs tors. theta energy: -86.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1047.761633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.761633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.761633 (E_RNA)
where:
Base-Base interactions energy: -706.384
where: short stacking energy: -289.516
Base-Backbone interact. energy: -2.139
local terms energy: -339.239229
where:
bonds (distance) C4'-P energy: -98.527
bonds (distance) P-C4' energy: -93.072
flat angles C4'-P-C4' energy: -56.210
flat angles P-C4'-P energy: -46.743
tors. eta vs tors. theta energy: -44.687
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: 8
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -800.495216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.495216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.495216 (E_RNA)
where:
Base-Base interactions energy: -449.404
where: short stacking energy: -229.619
Base-Backbone interact. energy: -2.533
local terms energy: -348.558065
where:
bonds (distance) C4'-P energy: -81.940
bonds (distance) P-C4' energy: -103.540
flat angles C4'-P-C4' energy: -87.000
flat angles P-C4'-P energy: -51.635
tors. eta vs tors. theta energy: -24.443
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: 440
Temperature: 1.350000
Total energy: -562.325026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.325026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.325026 (E_RNA)
where:
Base-Base interactions energy: -255.454
where: short stacking energy: -160.460
Base-Backbone interact. energy: 1.780
local terms energy: -308.650920
where:
bonds (distance) C4'-P energy: -83.521
bonds (distance) P-C4' energy: -99.475
flat angles C4'-P-C4' energy: -82.542
flat angles P-C4'-P energy: -39.357
tors. eta vs tors. theta energy: -3.755
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: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1820.840941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.840941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.840941 (E_RNA)
where:
Base-Base interactions energy: -1259.421
where: short stacking energy: -531.826
Base-Backbone interact. energy: 0.148
local terms energy: -561.567653
where:
bonds (distance) C4'-P energy: -106.273
bonds (distance) P-C4' energy: -102.031
flat angles C4'-P-C4' energy: -136.145
flat angles P-C4'-P energy: -71.730
tors. eta vs tors. theta energy: -145.389
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: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1771.326609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.326609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.326609 (E_RNA)
where:
Base-Base interactions energy: -1213.756
where: short stacking energy: -560.575
Base-Backbone interact. energy: -2.078
local terms energy: -555.492353
where:
bonds (distance) C4'-P energy: -102.058
bonds (distance) P-C4' energy: -96.799
flat angles C4'-P-C4' energy: -121.710
flat angles P-C4'-P energy: -81.598
tors. eta vs tors. theta energy: -153.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1738.107498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.107498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.107498 (E_RNA)
where:
Base-Base interactions energy: -1181.023
where: short stacking energy: -516.704
Base-Backbone interact. energy: -2.056
local terms energy: -555.028676
where:
bonds (distance) C4'-P energy: -105.662
bonds (distance) P-C4' energy: -95.658
flat angles C4'-P-C4' energy: -124.077
flat angles P-C4'-P energy: -81.988
tors. eta vs tors. theta energy: -147.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1586.389458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.389458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.389458 (E_RNA)
where:
Base-Base interactions energy: -1078.085
where: short stacking energy: -450.952
Base-Backbone interact. energy: -1.570
local terms energy: -506.734411
where:
bonds (distance) C4'-P energy: -103.775
bonds (distance) P-C4' energy: -107.312
flat angles C4'-P-C4' energy: -100.422
flat angles P-C4'-P energy: -78.224
tors. eta vs tors. theta energy: -117.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1409.897033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.897033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.897033 (E_RNA)
where:
Base-Base interactions energy: -923.905
where: short stacking energy: -395.603
Base-Backbone interact. energy: 0.445
local terms energy: -486.437227
where:
bonds (distance) C4'-P energy: -83.723
bonds (distance) P-C4' energy: -116.957
flat angles C4'-P-C4' energy: -116.289
flat angles P-C4'-P energy: -70.637
tors. eta vs tors. theta energy: -98.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1432.176577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.176577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.176577 (E_RNA)
where:
Base-Base interactions energy: -983.920
where: short stacking energy: -425.761
Base-Backbone interact. energy: -2.061
local terms energy: -446.195755
where:
bonds (distance) C4'-P energy: -81.449
bonds (distance) P-C4' energy: -94.060
flat angles C4'-P-C4' energy: -91.628
flat angles P-C4'-P energy: -63.344
tors. eta vs tors. theta energy: -115.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1320.764102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.764102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.764102 (E_RNA)
where:
Base-Base interactions energy: -872.218
where: short stacking energy: -379.165
Base-Backbone interact. energy: 0.390
local terms energy: -448.935656
where:
bonds (distance) C4'-P energy: -92.517
bonds (distance) P-C4' energy: -96.633
flat angles C4'-P-C4' energy: -104.941
flat angles P-C4'-P energy: -68.185
tors. eta vs tors. theta energy: -86.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1055.384336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.384336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.384336 (E_RNA)
where:
Base-Base interactions energy: -690.086
where: short stacking energy: -301.222
Base-Backbone interact. energy: -0.954
local terms energy: -364.344155
where:
bonds (distance) C4'-P energy: -93.010
bonds (distance) P-C4' energy: -95.826
flat angles C4'-P-C4' energy: -72.679
flat angles P-C4'-P energy: -57.137
tors. eta vs tors. theta energy: -45.692
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: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -750.360733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.360733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.360733 (E_RNA)
where:
Base-Base interactions energy: -426.248
where: short stacking energy: -224.628
Base-Backbone interact. energy: 0.395
local terms energy: -324.508010
where:
bonds (distance) C4'-P energy: -75.622
bonds (distance) P-C4' energy: -100.436
flat angles C4'-P-C4' energy: -89.250
flat angles P-C4'-P energy: -51.510
tors. eta vs tors. theta energy: -7.689
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: 10, replica: 10
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -541.608995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.608995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.608995 (E_RNA)
where:
Base-Base interactions energy: -243.555
where: short stacking energy: -152.741
Base-Backbone interact. energy: 9.405
local terms energy: -307.458546
where:
bonds (distance) C4'-P energy: -83.032
bonds (distance) P-C4' energy: -101.378
flat angles C4'-P-C4' energy: -78.015
flat angles P-C4'-P energy: -49.513
tors. eta vs tors. theta energy: 4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1824.078141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.078141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.078141 (E_RNA)
where:
Base-Base interactions energy: -1227.659
where: short stacking energy: -510.646
Base-Backbone interact. energy: -3.647
local terms energy: -592.771559
where:
bonds (distance) C4'-P energy: -117.570
bonds (distance) P-C4' energy: -116.847
flat angles C4'-P-C4' energy: -116.533
flat angles P-C4'-P energy: -95.189
tors. eta vs tors. theta energy: -146.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1785.029020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.029020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.029020 (E_RNA)
where:
Base-Base interactions energy: -1212.818
where: short stacking energy: -545.551
Base-Backbone interact. energy: -0.572
local terms energy: -571.638784
where:
bonds (distance) C4'-P energy: -101.756
bonds (distance) P-C4' energy: -112.697
flat angles C4'-P-C4' energy: -117.824
flat angles P-C4'-P energy: -88.927
tors. eta vs tors. theta energy: -150.435
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: 5
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1741.548016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.548016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.548016 (E_RNA)
where:
Base-Base interactions energy: -1157.455
where: short stacking energy: -522.690
Base-Backbone interact. energy: -0.503
local terms energy: -583.590100
where:
bonds (distance) C4'-P energy: -108.997
bonds (distance) P-C4' energy: -105.494
flat angles C4'-P-C4' energy: -123.950
flat angles P-C4'-P energy: -88.066
tors. eta vs tors. theta energy: -157.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1588.552608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.552608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.552608 (E_RNA)
where:
Base-Base interactions energy: -1093.941
where: short stacking energy: -437.719
Base-Backbone interact. energy: -1.486
local terms energy: -493.124878
where:
bonds (distance) C4'-P energy: -86.979
bonds (distance) P-C4' energy: -101.397
flat angles C4'-P-C4' energy: -122.585
flat angles P-C4'-P energy: -79.655
tors. eta vs tors. theta energy: -102.510
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: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1511.717257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.717257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.717257 (E_RNA)
where:
Base-Base interactions energy: -1025.557
where: short stacking energy: -452.966
Base-Backbone interact. energy: -0.220
local terms energy: -485.940969
where:
bonds (distance) C4'-P energy: -95.901
bonds (distance) P-C4' energy: -97.392
flat angles C4'-P-C4' energy: -112.065
flat angles P-C4'-P energy: -71.577
tors. eta vs tors. theta energy: -109.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1383.799429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.799429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.799429 (E_RNA)
where:
Base-Base interactions energy: -940.081
where: short stacking energy: -398.832
Base-Backbone interact. energy: -0.066
local terms energy: -443.652742
where:
bonds (distance) C4'-P energy: -93.531
bonds (distance) P-C4' energy: -85.603
flat angles C4'-P-C4' energy: -96.191
flat angles P-C4'-P energy: -72.667
tors. eta vs tors. theta energy: -95.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1318.676146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.676146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.676146 (E_RNA)
where:
Base-Base interactions energy: -902.546
where: short stacking energy: -392.857
Base-Backbone interact. energy: -3.519
local terms energy: -412.611392
where:
bonds (distance) C4'-P energy: -73.415
bonds (distance) P-C4' energy: -84.117
flat angles C4'-P-C4' energy: -96.433
flat angles P-C4'-P energy: -62.363
tors. eta vs tors. theta energy: -96.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1046.830624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.830624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.830624 (E_RNA)
where:
Base-Base interactions energy: -712.282
where: short stacking energy: -310.669
Base-Backbone interact. energy: 0.968
local terms energy: -335.516335
where:
bonds (distance) C4'-P energy: -73.230
bonds (distance) P-C4' energy: -86.552
flat angles C4'-P-C4' energy: -87.682
flat angles P-C4'-P energy: -33.935
tors. eta vs tors. theta energy: -54.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -781.350041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.350041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.350041 (E_RNA)
where:
Base-Base interactions energy: -447.692
where: short stacking energy: -215.688
Base-Backbone interact. energy: 3.599
local terms energy: -337.256837
where:
bonds (distance) C4'-P energy: -82.884
bonds (distance) P-C4' energy: -94.040
flat angles C4'-P-C4' energy: -89.048
flat angles P-C4'-P energy: -48.511
tors. eta vs tors. theta energy: -22.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -524.364461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.364461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.364461 (E_RNA)
where:
Base-Base interactions energy: -255.445
where: short stacking energy: -129.456
Base-Backbone interact. energy: 6.816
local terms energy: -275.735450
where:
bonds (distance) C4'-P energy: -82.896
bonds (distance) P-C4' energy: -101.769
flat angles C4'-P-C4' energy: -66.802
flat angles P-C4'-P energy: -32.757
tors. eta vs tors. theta energy: 8.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1827.607937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.607937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.607937 (E_RNA)
where:
Base-Base interactions energy: -1234.785
where: short stacking energy: -512.146
Base-Backbone interact. energy: -6.859
local terms energy: -585.963903
where:
bonds (distance) C4'-P energy: -110.787
bonds (distance) P-C4' energy: -113.117
flat angles C4'-P-C4' energy: -130.831
flat angles P-C4'-P energy: -83.538
tors. eta vs tors. theta energy: -147.691
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: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1787.027105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.027105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.027105 (E_RNA)
where:
Base-Base interactions energy: -1203.179
where: short stacking energy: -556.200
Base-Backbone interact. energy: -0.903
local terms energy: -582.945549
where:
bonds (distance) C4'-P energy: -108.803
bonds (distance) P-C4' energy: -106.812
flat angles C4'-P-C4' energy: -127.239
flat angles P-C4'-P energy: -75.882
tors. eta vs tors. theta energy: -164.209
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: 2
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1745.754586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.754586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.754586 (E_RNA)
where:
Base-Base interactions energy: -1205.936
where: short stacking energy: -528.832
Base-Backbone interact. energy: -1.851
local terms energy: -537.968080
where:
bonds (distance) C4'-P energy: -107.250
bonds (distance) P-C4' energy: -102.965
flat angles C4'-P-C4' energy: -109.527
flat angles P-C4'-P energy: -71.477
tors. eta vs tors. theta energy: -146.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1557.468149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.468149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.468149 (E_RNA)
where:
Base-Base interactions energy: -1061.372
where: short stacking energy: -466.786
Base-Backbone interact. energy: -3.783
local terms energy: -492.313662
where:
bonds (distance) C4'-P energy: -78.824
bonds (distance) P-C4' energy: -99.494
flat angles C4'-P-C4' energy: -110.595
flat angles P-C4'-P energy: -68.364
tors. eta vs tors. theta energy: -135.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1489.789584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.789584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.789584 (E_RNA)
where:
Base-Base interactions energy: -1020.351
where: short stacking energy: -421.703
Base-Backbone interact. energy: 1.415
local terms energy: -470.853021
where:
bonds (distance) C4'-P energy: -87.913
bonds (distance) P-C4' energy: -87.394
flat angles C4'-P-C4' energy: -105.778
flat angles P-C4'-P energy: -67.410
tors. eta vs tors. theta energy: -122.358
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: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1339.475362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.475362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.475362 (E_RNA)
where:
Base-Base interactions energy: -902.449
where: short stacking energy: -397.865
Base-Backbone interact. energy: -1.187
local terms energy: -435.839658
where:
bonds (distance) C4'-P energy: -81.960
bonds (distance) P-C4' energy: -91.610
flat angles C4'-P-C4' energy: -99.960
flat angles P-C4'-P energy: -67.523
tors. eta vs tors. theta energy: -94.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1319.265819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.265819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.265819 (E_RNA)
where:
Base-Base interactions energy: -887.768
where: short stacking energy: -378.613
Base-Backbone interact. energy: 2.832
local terms energy: -434.329745
where:
bonds (distance) C4'-P energy: -89.661
bonds (distance) P-C4' energy: -92.319
flat angles C4'-P-C4' energy: -109.703
flat angles P-C4'-P energy: -57.754
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: 8, replica: 3
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1004.652389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.652389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.652389 (E_RNA)
where:
Base-Base interactions energy: -631.496
where: short stacking energy: -274.944
Base-Backbone interact. energy: 5.126
local terms energy: -378.281791
where:
bonds (distance) C4'-P energy: -91.071
bonds (distance) P-C4' energy: -105.469
flat angles C4'-P-C4' energy: -86.670
flat angles P-C4'-P energy: -58.479
tors. eta vs tors. theta energy: -36.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -769.063058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.063058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.063058 (E_RNA)
where:
Base-Base interactions energy: -425.108
where: short stacking energy: -224.258
Base-Backbone interact. energy: -0.730
local terms energy: -343.225129
where:
bonds (distance) C4'-P energy: -81.884
bonds (distance) P-C4' energy: -99.137
flat angles C4'-P-C4' energy: -77.558
flat angles P-C4'-P energy: -54.657
tors. eta vs tors. theta energy: -29.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -538.770481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.770481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.770481 (E_RNA)
where:
Base-Base interactions energy: -228.614
where: short stacking energy: -126.545
Base-Backbone interact. energy: -1.081
local terms energy: -309.075287
where:
bonds (distance) C4'-P energy: -104.425
bonds (distance) P-C4' energy: -100.873
flat angles C4'-P-C4' energy: -71.169
flat angles P-C4'-P energy: -48.837
tors. eta vs tors. theta energy: 16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1823.084193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.084193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.084193 (E_RNA)
where:
Base-Base interactions energy: -1233.316
where: short stacking energy: -527.505
Base-Backbone interact. energy: -1.320
local terms energy: -588.448585
where:
bonds (distance) C4'-P energy: -110.271
bonds (distance) P-C4' energy: -119.061
flat angles C4'-P-C4' energy: -121.540
flat angles P-C4'-P energy: -84.304
tors. eta vs tors. theta energy: -153.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1786.974713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.974713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.974713 (E_RNA)
where:
Base-Base interactions energy: -1202.752
where: short stacking energy: -524.758
Base-Backbone interact. energy: -1.484
local terms energy: -582.739332
where:
bonds (distance) C4'-P energy: -105.965
bonds (distance) P-C4' energy: -115.005
flat angles C4'-P-C4' energy: -118.758
flat angles P-C4'-P energy: -87.853
tors. eta vs tors. theta energy: -155.159
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: 3, replica: 2
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1743.466336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.466336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.466336 (E_RNA)
where:
Base-Base interactions energy: -1210.129
where: short stacking energy: -532.755
Base-Backbone interact. energy: -2.365
local terms energy: -530.972298
where:
bonds (distance) C4'-P energy: -100.833
bonds (distance) P-C4' energy: -103.556
flat angles C4'-P-C4' energy: -106.637
flat angles P-C4'-P energy: -77.103
tors. eta vs tors. theta energy: -142.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1612.477515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.477515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.477515 (E_RNA)
where:
Base-Base interactions energy: -1097.422
where: short stacking energy: -489.742
Base-Backbone interact. energy: 0.538
local terms energy: -515.593492
where:
bonds (distance) C4'-P energy: -92.984
bonds (distance) P-C4' energy: -97.635
flat angles C4'-P-C4' energy: -116.693
flat angles P-C4'-P energy: -67.852
tors. eta vs tors. theta energy: -140.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1569.208369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.208369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.208369 (E_RNA)
where:
Base-Base interactions energy: -1070.198
where: short stacking energy: -463.042
Base-Backbone interact. energy: 0.053
local terms energy: -499.063235
where:
bonds (distance) C4'-P energy: -109.466
bonds (distance) P-C4' energy: -86.670
flat angles C4'-P-C4' energy: -118.294
flat angles P-C4'-P energy: -64.519
tors. eta vs tors. theta energy: -120.115
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: 4
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1362.841350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.841350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.841350 (E_RNA)
where:
Base-Base interactions energy: -928.723
where: short stacking energy: -378.873
Base-Backbone interact. energy: 0.816
local terms energy: -434.934139
where:
bonds (distance) C4'-P energy: -78.079
bonds (distance) P-C4' energy: -92.048
flat angles C4'-P-C4' energy: -99.896
flat angles P-C4'-P energy: -61.452
tors. eta vs tors. theta energy: -103.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1318.246938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.246938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.246938 (E_RNA)
where:
Base-Base interactions energy: -855.553
where: short stacking energy: -356.719
Base-Backbone interact. energy: -1.493
local terms energy: -461.200292
where:
bonds (distance) C4'-P energy: -94.936
bonds (distance) P-C4' energy: -107.634
flat angles C4'-P-C4' energy: -91.245
flat angles P-C4'-P energy: -74.410
tors. eta vs tors. theta energy: -92.975
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: 3
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1040.121637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.121637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.121637 (E_RNA)
where:
Base-Base interactions energy: -681.849
where: short stacking energy: -294.680
Base-Backbone interact. energy: 2.867
local terms energy: -361.139902
where:
bonds (distance) C4'-P energy: -84.130
bonds (distance) P-C4' energy: -91.318
flat angles C4'-P-C4' energy: -86.432
flat angles P-C4'-P energy: -61.611
tors. eta vs tors. theta energy: -37.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -726.556390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.556390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.556390 (E_RNA)
where:
Base-Base interactions energy: -414.200
where: short stacking energy: -206.913
Base-Backbone interact. energy: -0.707
local terms energy: -311.649155
where:
bonds (distance) C4'-P energy: -78.886
bonds (distance) P-C4' energy: -79.408
flat angles C4'-P-C4' energy: -75.257
flat angles P-C4'-P energy: -67.488
tors. eta vs tors. theta energy: -10.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -529.617583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.617583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.617583 (E_RNA)
where:
Base-Base interactions energy: -233.063
where: short stacking energy: -133.335
Base-Backbone interact. energy: -0.156
local terms energy: -296.398475
where:
bonds (distance) C4'-P energy: -76.356
bonds (distance) P-C4' energy: -87.079
flat angles C4'-P-C4' energy: -91.139
flat angles P-C4'-P energy: -34.635
tors. eta vs tors. theta energy: -7.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1816.397835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.397835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.397835 (E_RNA)
where:
Base-Base interactions energy: -1261.396
where: short stacking energy: -509.749
Base-Backbone interact. energy: -3.826
local terms energy: -551.175316
where:
bonds (distance) C4'-P energy: -102.196
bonds (distance) P-C4' energy: -106.463
flat angles C4'-P-C4' energy: -122.945
flat angles P-C4'-P energy: -73.484
tors. eta vs tors. theta energy: -146.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1773.375449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.375449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.375449 (E_RNA)
where:
Base-Base interactions energy: -1220.609
where: short stacking energy: -548.655
Base-Backbone interact. energy: 2.040
local terms energy: -554.805765
where:
bonds (distance) C4'-P energy: -102.581
bonds (distance) P-C4' energy: -87.319
flat angles C4'-P-C4' energy: -125.130
flat angles P-C4'-P energy: -81.853
tors. eta vs tors. theta energy: -157.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1709.824934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.824934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.824934 (E_RNA)
where:
Base-Base interactions energy: -1165.216
where: short stacking energy: -506.705
Base-Backbone interact. energy: -0.905
local terms energy: -543.703652
where:
bonds (distance) C4'-P energy: -98.207
bonds (distance) P-C4' energy: -105.636
flat angles C4'-P-C4' energy: -114.050
flat angles P-C4'-P energy: -77.943
tors. eta vs tors. theta energy: -147.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1596.075066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.075066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.075066 (E_RNA)
where:
Base-Base interactions energy: -1073.767
where: short stacking energy: -455.075
Base-Backbone interact. energy: 0.725
local terms energy: -523.032234
where:
bonds (distance) C4'-P energy: -114.349
bonds (distance) P-C4' energy: -112.454
flat angles C4'-P-C4' energy: -111.578
flat angles P-C4'-P energy: -63.511
tors. eta vs tors. theta energy: -121.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1539.104006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.104006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.104006 (E_RNA)
where:
Base-Base interactions energy: -1037.719
where: short stacking energy: -463.294
Base-Backbone interact. energy: -0.981
local terms energy: -500.403875
where:
bonds (distance) C4'-P energy: -78.170
bonds (distance) P-C4' energy: -110.569
flat angles C4'-P-C4' energy: -109.829
flat angles P-C4'-P energy: -80.879
tors. eta vs tors. theta energy: -120.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1384.429009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.429009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.429009 (E_RNA)
where:
Base-Base interactions energy: -911.446
where: short stacking energy: -396.176
Base-Backbone interact. energy: -3.138
local terms energy: -469.844821
where:
bonds (distance) C4'-P energy: -91.794
bonds (distance) P-C4' energy: -107.526
flat angles C4'-P-C4' energy: -99.925
flat angles P-C4'-P energy: -56.932
tors. eta vs tors. theta energy: -113.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1269.771195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.771195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.771195 (E_RNA)
where:
Base-Base interactions energy: -868.829
where: short stacking energy: -346.667
Base-Backbone interact. energy: 0.844
local terms energy: -401.786389
where:
bonds (distance) C4'-P energy: -89.843
bonds (distance) P-C4' energy: -96.929
flat angles C4'-P-C4' energy: -88.350
flat angles P-C4'-P energy: -60.706
tors. eta vs tors. theta energy: -65.958
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: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1050.243637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.243637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.243637 (E_RNA)
where:
Base-Base interactions energy: -650.065
where: short stacking energy: -293.725
Base-Backbone interact. energy: 3.304
local terms energy: -403.482929
where:
bonds (distance) C4'-P energy: -104.498
bonds (distance) P-C4' energy: -97.474
flat angles C4'-P-C4' energy: -100.316
flat angles P-C4'-P energy: -56.396
tors. eta vs tors. theta energy: -44.799
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: 9, replica: 8
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -726.291984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.291984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.291984 (E_RNA)
where:
Base-Base interactions energy: -403.858
where: short stacking energy: -214.734
Base-Backbone interact. energy: 3.948
local terms energy: -326.382466
where:
bonds (distance) C4'-P energy: -97.158
bonds (distance) P-C4' energy: -85.997
flat angles C4'-P-C4' energy: -82.943
flat angles P-C4'-P energy: -38.142
tors. eta vs tors. theta energy: -22.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -536.278276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.278276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.278276 (E_RNA)
where:
Base-Base interactions energy: -251.355
where: short stacking energy: -155.604
Base-Backbone interact. energy: 3.157
local terms energy: -288.081051
where:
bonds (distance) C4'-P energy: -88.455
bonds (distance) P-C4' energy: -81.821
flat angles C4'-P-C4' energy: -75.266
flat angles P-C4'-P energy: -42.421
tors. eta vs tors. theta energy: -0.118
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: 7
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1838.562006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.562006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.562006 (E_RNA)
where:
Base-Base interactions energy: -1269.999
where: short stacking energy: -530.074
Base-Backbone interact. energy: -2.426
local terms energy: -566.136633
where:
bonds (distance) C4'-P energy: -115.872
bonds (distance) P-C4' energy: -106.553
flat angles C4'-P-C4' energy: -117.258
flat angles P-C4'-P energy: -74.397
tors. eta vs tors. theta energy: -152.058
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: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1781.919423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.919423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.919423 (E_RNA)
where:
Base-Base interactions energy: -1215.782
where: short stacking energy: -562.174
Base-Backbone interact. energy: -1.457
local terms energy: -564.680658
where:
bonds (distance) C4'-P energy: -102.450
bonds (distance) P-C4' energy: -107.550
flat angles C4'-P-C4' energy: -116.759
flat angles P-C4'-P energy: -79.358
tors. eta vs tors. theta energy: -158.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1732.523036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.523036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.523036 (E_RNA)
where:
Base-Base interactions energy: -1186.990
where: short stacking energy: -504.336
Base-Backbone interact. energy: -0.714
local terms energy: -544.818737
where:
bonds (distance) C4'-P energy: -93.672
bonds (distance) P-C4' energy: -100.992
flat angles C4'-P-C4' energy: -113.613
flat angles P-C4'-P energy: -83.884
tors. eta vs tors. theta energy: -152.658
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: 4, replica: 9
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1542.313545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.313545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.313545 (E_RNA)
where:
Base-Base interactions energy: -1037.610
where: short stacking energy: -452.758
Base-Backbone interact. energy: 0.485
local terms energy: -505.188632
where:
bonds (distance) C4'-P energy: -93.469
bonds (distance) P-C4' energy: -104.082
flat angles C4'-P-C4' energy: -119.527
flat angles P-C4'-P energy: -65.617
tors. eta vs tors. theta energy: -122.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1508.937854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.937854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.937854 (E_RNA)
where:
Base-Base interactions energy: -1004.977
where: short stacking energy: -439.374
Base-Backbone interact. energy: -0.712
local terms energy: -503.248278
where:
bonds (distance) C4'-P energy: -94.887
bonds (distance) P-C4' energy: -112.977
flat angles C4'-P-C4' energy: -105.065
flat angles P-C4'-P energy: -67.827
tors. eta vs tors. theta energy: -122.492
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: 446
Temperature: 1.150000
Total energy: -1432.695395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.695395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.695395 (E_RNA)
where:
Base-Base interactions energy: -947.683
where: short stacking energy: -418.194
Base-Backbone interact. energy: -2.188
local terms energy: -482.825155
where:
bonds (distance) C4'-P energy: -95.870
bonds (distance) P-C4' energy: -96.802
flat angles C4'-P-C4' energy: -105.162
flat angles P-C4'-P energy: -71.655
tors. eta vs tors. theta energy: -113.336
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: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1317.610129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.610129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.610129 (E_RNA)
where:
Base-Base interactions energy: -888.373
where: short stacking energy: -409.105
Base-Backbone interact. energy: -0.374
local terms energy: -428.863563
where:
bonds (distance) C4'-P energy: -74.300
bonds (distance) P-C4' energy: -82.441
flat angles C4'-P-C4' energy: -105.223
flat angles P-C4'-P energy: -61.802
tors. eta vs tors. theta energy: -105.098
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: 8, replica: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1115.529123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.529123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.529123 (E_RNA)
where:
Base-Base interactions energy: -727.344
where: short stacking energy: -321.991
Base-Backbone interact. energy: 4.403
local terms energy: -392.588645
where:
bonds (distance) C4'-P energy: -82.026
bonds (distance) P-C4' energy: -92.968
flat angles C4'-P-C4' energy: -97.514
flat angles P-C4'-P energy: -54.759
tors. eta vs tors. theta energy: -65.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -742.300271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.300271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.300271 (E_RNA)
where:
Base-Base interactions energy: -417.930
where: short stacking energy: -228.927
Base-Backbone interact. energy: -0.850
local terms energy: -323.519771
where:
bonds (distance) C4'-P energy: -68.302
bonds (distance) P-C4' energy: -96.152
flat angles C4'-P-C4' energy: -83.066
flat angles P-C4'-P energy: -52.682
tors. eta vs tors. theta energy: -23.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -446.811992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.811992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.811992 (E_RNA)
where:
Base-Base interactions energy: -205.058
where: short stacking energy: -123.977
Base-Backbone interact. energy: 0.884
local terms energy: -242.638191
where:
bonds (distance) C4'-P energy: -82.920
bonds (distance) P-C4' energy: -91.674
flat angles C4'-P-C4' energy: -62.524
flat angles P-C4'-P energy: -34.088
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: 1, replica: 7
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1839.197668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.197668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.197668 (E_RNA)
where:
Base-Base interactions energy: -1277.932
where: short stacking energy: -539.576
Base-Backbone interact. energy: -5.118
local terms energy: -556.148198
where:
bonds (distance) C4'-P energy: -102.390
bonds (distance) P-C4' energy: -104.716
flat angles C4'-P-C4' energy: -120.309
flat angles P-C4'-P energy: -77.922
tors. eta vs tors. theta energy: -150.811
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: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1741.954522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.954522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.954522 (E_RNA)
where:
Base-Base interactions energy: -1189.743
where: short stacking energy: -526.584
Base-Backbone interact. energy: -4.682
local terms energy: -547.529315
where:
bonds (distance) C4'-P energy: -91.612
bonds (distance) P-C4' energy: -102.340
flat angles C4'-P-C4' energy: -120.353
flat angles P-C4'-P energy: -80.216
tors. eta vs tors. theta energy: -153.009
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: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1741.041717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.041717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.041717 (E_RNA)
where:
Base-Base interactions energy: -1184.825
where: short stacking energy: -536.695
Base-Backbone interact. energy: -1.955
local terms energy: -554.262575
where:
bonds (distance) C4'-P energy: -97.328
bonds (distance) P-C4' energy: -102.857
flat angles C4'-P-C4' energy: -114.624
flat angles P-C4'-P energy: -82.915
tors. eta vs tors. theta energy: -156.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1569.744938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.744938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.744938 (E_RNA)
where:
Base-Base interactions energy: -1051.417
where: short stacking energy: -461.904
Base-Backbone interact. energy: -1.705
local terms energy: -516.622594
where:
bonds (distance) C4'-P energy: -104.365
bonds (distance) P-C4' energy: -99.242
flat angles C4'-P-C4' energy: -113.079
flat angles P-C4'-P energy: -69.775
tors. eta vs tors. theta energy: -130.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1490.074905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.074905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.074905 (E_RNA)
where:
Base-Base interactions energy: -996.086
where: short stacking energy: -423.850
Base-Backbone interact. energy: -1.401
local terms energy: -492.587983
where:
bonds (distance) C4'-P energy: -109.093
bonds (distance) P-C4' energy: -85.114
flat angles C4'-P-C4' energy: -106.192
flat angles P-C4'-P energy: -71.274
tors. eta vs tors. theta energy: -120.914
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: 447
Temperature: 1.150000
Total energy: -1385.572314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.572314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.572314 (E_RNA)
where:
Base-Base interactions energy: -929.539
where: short stacking energy: -402.079
Base-Backbone interact. energy: -0.624
local terms energy: -455.409705
where:
bonds (distance) C4'-P energy: -82.436
bonds (distance) P-C4' energy: -93.733
flat angles C4'-P-C4' energy: -111.379
flat angles P-C4'-P energy: -66.638
tors. eta vs tors. theta energy: -101.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1387.700936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.700936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.700936 (E_RNA)
where:
Base-Base interactions energy: -953.054
where: short stacking energy: -394.058
Base-Backbone interact. energy: -2.151
local terms energy: -432.495573
where:
bonds (distance) C4'-P energy: -88.807
bonds (distance) P-C4' energy: -91.438
flat angles C4'-P-C4' energy: -91.988
flat angles P-C4'-P energy: -45.961
tors. eta vs tors. theta energy: -114.301
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: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1044.921183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.921183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.921183 (E_RNA)
where:
Base-Base interactions energy: -664.240
where: short stacking energy: -305.799
Base-Backbone interact. energy: 6.499
local terms energy: -387.179706
where:
bonds (distance) C4'-P energy: -90.283
bonds (distance) P-C4' energy: -96.623
flat angles C4'-P-C4' energy: -92.367
flat angles P-C4'-P energy: -41.866
tors. eta vs tors. theta energy: -66.041
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: 9, replica: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -719.199616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.199616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.199616 (E_RNA)
where:
Base-Base interactions energy: -404.315
where: short stacking energy: -202.965
Base-Backbone interact. energy: 7.194
local terms energy: -322.078452
where:
bonds (distance) C4'-P energy: -90.496
bonds (distance) P-C4' energy: -87.391
flat angles C4'-P-C4' energy: -85.488
flat angles P-C4'-P energy: -44.053
tors. eta vs tors. theta energy: -14.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -455.897392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.897392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.897392 (E_RNA)
where:
Base-Base interactions energy: -182.236
where: short stacking energy: -141.763
Base-Backbone interact. energy: 2.573
local terms energy: -276.234517
where:
bonds (distance) C4'-P energy: -96.963
bonds (distance) P-C4' energy: -98.328
flat angles C4'-P-C4' energy: -55.874
flat angles P-C4'-P energy: -43.735
tors. eta vs tors. theta energy: 18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1849.875658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.875658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.875658 (E_RNA)
where:
Base-Base interactions energy: -1259.337
where: short stacking energy: -560.069
Base-Backbone interact. energy: -3.696
local terms energy: -586.842872
where:
bonds (distance) C4'-P energy: -107.075
bonds (distance) P-C4' energy: -102.779
flat angles C4'-P-C4' energy: -127.253
flat angles P-C4'-P energy: -85.009
tors. eta vs tors. theta energy: -164.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1790.843384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.843384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.843384 (E_RNA)
where:
Base-Base interactions energy: -1222.727
where: short stacking energy: -551.461
Base-Backbone interact. energy: 1.703
local terms energy: -569.819351
where:
bonds (distance) C4'-P energy: -85.124
bonds (distance) P-C4' energy: -107.608
flat angles C4'-P-C4' energy: -127.288
flat angles P-C4'-P energy: -87.995
tors. eta vs tors. theta energy: -161.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1738.592068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.592068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.592068 (E_RNA)
where:
Base-Base interactions energy: -1180.771
where: short stacking energy: -538.220
Base-Backbone interact. energy: -1.812
local terms energy: -556.008312
where:
bonds (distance) C4'-P energy: -92.485
bonds (distance) P-C4' energy: -108.045
flat angles C4'-P-C4' energy: -122.870
flat angles P-C4'-P energy: -79.344
tors. eta vs tors. theta energy: -153.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1573.198848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.198848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.198848 (E_RNA)
where:
Base-Base interactions energy: -1075.196
where: short stacking energy: -458.827
Base-Backbone interact. energy: -0.807
local terms energy: -497.195595
where:
bonds (distance) C4'-P energy: -86.997
bonds (distance) P-C4' energy: -109.229
flat angles C4'-P-C4' energy: -114.567
flat angles P-C4'-P energy: -59.051
tors. eta vs tors. theta energy: -127.351
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: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1490.530994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.530994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.530994 (E_RNA)
where:
Base-Base interactions energy: -1024.748
where: short stacking energy: -418.282
Base-Backbone interact. energy: -2.865
local terms energy: -462.917821
where:
bonds (distance) C4'-P energy: -82.181
bonds (distance) P-C4' energy: -103.445
flat angles C4'-P-C4' energy: -108.357
flat angles P-C4'-P energy: -72.370
tors. eta vs tors. theta energy: -96.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1411.137367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.137367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.137367 (E_RNA)
where:
Base-Base interactions energy: -946.115
where: short stacking energy: -429.544
Base-Backbone interact. energy: -4.551
local terms energy: -460.471941
where:
bonds (distance) C4'-P energy: -97.120
bonds (distance) P-C4' energy: -89.422
flat angles C4'-P-C4' energy: -97.466
flat angles P-C4'-P energy: -62.200
tors. eta vs tors. theta energy: -114.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1355.141468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.141468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.141468 (E_RNA)
where:
Base-Base interactions energy: -918.516
where: short stacking energy: -391.448
Base-Backbone interact. energy: -1.340
local terms energy: -435.285273
where:
bonds (distance) C4'-P energy: -82.161
bonds (distance) P-C4' energy: -83.846
flat angles C4'-P-C4' energy: -120.641
flat angles P-C4'-P energy: -46.891
tors. eta vs tors. theta energy: -101.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1053.465000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.465000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.465000 (E_RNA)
where:
Base-Base interactions energy: -669.791
where: short stacking energy: -284.744
Base-Backbone interact. energy: -1.180
local terms energy: -382.493801
where:
bonds (distance) C4'-P energy: -87.295
bonds (distance) P-C4' energy: -102.203
flat angles C4'-P-C4' energy: -91.218
flat angles P-C4'-P energy: -58.563
tors. eta vs tors. theta energy: -43.215
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: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -726.810851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.810851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.810851 (E_RNA)
where:
Base-Base interactions energy: -405.571
where: short stacking energy: -212.551
Base-Backbone interact. energy: 2.621
local terms energy: -323.860094
where:
bonds (distance) C4'-P energy: -76.354
bonds (distance) P-C4' energy: -96.982
flat angles C4'-P-C4' energy: -71.705
flat angles P-C4'-P energy: -59.230
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: 448
Temperature: 1.350000
Total energy: -437.106234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.106234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.106234 (E_RNA)
where:
Base-Base interactions energy: -177.576
where: short stacking energy: -123.717
Base-Backbone interact. energy: -0.708
local terms energy: -258.822574
where:
bonds (distance) C4'-P energy: -80.821
bonds (distance) P-C4' energy: -86.573
flat angles C4'-P-C4' energy: -59.162
flat angles P-C4'-P energy: -42.794
tors. eta vs tors. theta energy: 10.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1841.442105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.442105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.442105 (E_RNA)
where:
Base-Base interactions energy: -1271.005
where: short stacking energy: -533.954
Base-Backbone interact. energy: -4.810
local terms energy: -565.626425
where:
bonds (distance) C4'-P energy: -103.908
bonds (distance) P-C4' energy: -106.704
flat angles C4'-P-C4' energy: -127.629
flat angles P-C4'-P energy: -76.223
tors. eta vs tors. theta energy: -151.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1807.621241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.621241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.621241 (E_RNA)
where:
Base-Base interactions energy: -1226.452
where: short stacking energy: -541.521
Base-Backbone interact. energy: -2.253
local terms energy: -578.916229
where:
bonds (distance) C4'-P energy: -104.649
bonds (distance) P-C4' energy: -113.244
flat angles C4'-P-C4' energy: -125.536
flat angles P-C4'-P energy: -74.891
tors. eta vs tors. theta energy: -160.596
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: 449
Temperature: 1.000000
Total energy: -1733.779995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.779995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.779995 (E_RNA)
where:
Base-Base interactions energy: -1173.662
where: short stacking energy: -528.322
Base-Backbone interact. energy: -1.965
local terms energy: -558.153377
where:
bonds (distance) C4'-P energy: -96.660
bonds (distance) P-C4' energy: -109.090
flat angles C4'-P-C4' energy: -127.524
flat angles P-C4'-P energy: -82.423
tors. eta vs tors. theta energy: -142.457
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: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1496.838067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.838067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.838067 (E_RNA)
where:
Base-Base interactions energy: -1016.558
where: short stacking energy: -442.500
Base-Backbone interact. energy: -1.999
local terms energy: -478.281319
where:
bonds (distance) C4'-P energy: -85.995
bonds (distance) P-C4' energy: -103.940
flat angles C4'-P-C4' energy: -109.974
flat angles P-C4'-P energy: -64.574
tors. eta vs tors. theta energy: -113.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1530.091666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.091666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.091666 (E_RNA)
where:
Base-Base interactions energy: -1021.766
where: short stacking energy: -432.955
Base-Backbone interact. energy: -1.684
local terms energy: -506.641766
where:
bonds (distance) C4'-P energy: -97.413
bonds (distance) P-C4' energy: -105.970
flat angles C4'-P-C4' energy: -115.314
flat angles P-C4'-P energy: -69.294
tors. eta vs tors. theta energy: -118.652
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: 4
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1380.734992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.734992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.734992 (E_RNA)
where:
Base-Base interactions energy: -932.592
where: short stacking energy: -395.162
Base-Backbone interact. energy: 1.685
local terms energy: -449.828382
where:
bonds (distance) C4'-P energy: -91.168
bonds (distance) P-C4' energy: -106.316
flat angles C4'-P-C4' energy: -93.304
flat angles P-C4'-P energy: -71.574
tors. eta vs tors. theta energy: -87.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1336.121652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.121652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.121652 (E_RNA)
where:
Base-Base interactions energy: -903.425
where: short stacking energy: -354.252
Base-Backbone interact. energy: 5.499
local terms energy: -438.195662
where:
bonds (distance) C4'-P energy: -105.697
bonds (distance) P-C4' energy: -91.719
flat angles C4'-P-C4' energy: -84.310
flat angles P-C4'-P energy: -68.075
tors. eta vs tors. theta energy: -88.394
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: 3
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1051.238093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.238093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.238093 (E_RNA)
where:
Base-Base interactions energy: -672.954
where: short stacking energy: -291.096
Base-Backbone interact. energy: 1.460
local terms energy: -379.744307
where:
bonds (distance) C4'-P energy: -89.666
bonds (distance) P-C4' energy: -97.145
flat angles C4'-P-C4' energy: -100.407
flat angles P-C4'-P energy: -51.355
tors. eta vs tors. theta energy: -41.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -749.252270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.252270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.252270 (E_RNA)
where:
Base-Base interactions energy: -414.342
where: short stacking energy: -222.927
Base-Backbone interact. energy: 3.020
local terms energy: -337.929948
where:
bonds (distance) C4'-P energy: -81.863
bonds (distance) P-C4' energy: -98.400
flat angles C4'-P-C4' energy: -92.581
flat angles P-C4'-P energy: -50.202
tors. eta vs tors. theta energy: -14.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -417.886289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.886289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.886289 (E_RNA)
where:
Base-Base interactions energy: -156.055
where: short stacking energy: -113.385
Base-Backbone interact. energy: -1.708
local terms energy: -260.123793
where:
bonds (distance) C4'-P energy: -91.962
bonds (distance) P-C4' energy: -91.512
flat angles C4'-P-C4' energy: -48.158
flat angles P-C4'-P energy: -51.541
tors. eta vs tors. theta energy: 23.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1852.582033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.582033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.582033 (E_RNA)
where:
Base-Base interactions energy: -1269.881
where: short stacking energy: -532.505
Base-Backbone interact. energy: -2.340
local terms energy: -580.361734
where:
bonds (distance) C4'-P energy: -118.275
bonds (distance) P-C4' energy: -106.231
flat angles C4'-P-C4' energy: -124.893
flat angles P-C4'-P energy: -81.378
tors. eta vs tors. theta energy: -149.585
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: 450
Temperature: 0.950000
Total energy: -1802.749588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.749588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.749588 (E_RNA)
where:
Base-Base interactions energy: -1236.406
where: short stacking energy: -564.272
Base-Backbone interact. energy: -1.586
local terms energy: -564.757961
where:
bonds (distance) C4'-P energy: -96.757
bonds (distance) P-C4' energy: -106.077
flat angles C4'-P-C4' energy: -118.619
flat angles P-C4'-P energy: -74.184
tors. eta vs tors. theta energy: -169.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1729.717990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.717990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.717990 (E_RNA)
where:
Base-Base interactions energy: -1172.573
where: short stacking energy: -491.003
Base-Backbone interact. energy: -1.425
local terms energy: -555.719213
where:
bonds (distance) C4'-P energy: -101.529
bonds (distance) P-C4' energy: -111.641
flat angles C4'-P-C4' energy: -122.486
flat angles P-C4'-P energy: -80.971
tors. eta vs tors. theta energy: -139.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1554.107881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.107881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.107881 (E_RNA)
where:
Base-Base interactions energy: -1042.309
where: short stacking energy: -449.724
Base-Backbone interact. energy: -2.245
local terms energy: -509.553875
where:
bonds (distance) C4'-P energy: -96.935
bonds (distance) P-C4' energy: -108.142
flat angles C4'-P-C4' energy: -105.019
flat angles P-C4'-P energy: -76.294
tors. eta vs tors. theta energy: -123.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1551.340352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.340352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.340352 (E_RNA)
where:
Base-Base interactions energy: -1033.885
where: short stacking energy: -485.021
Base-Backbone interact. energy: 0.961
local terms energy: -518.416340
where:
bonds (distance) C4'-P energy: -101.158
bonds (distance) P-C4' energy: -109.407
flat angles C4'-P-C4' energy: -111.918
flat angles P-C4'-P energy: -57.228
tors. eta vs tors. theta energy: -138.705
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: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1432.686579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.686579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.686579 (E_RNA)
where:
Base-Base interactions energy: -967.565
where: short stacking energy: -409.492
Base-Backbone interact. energy: 1.177
local terms energy: -466.298772
where:
bonds (distance) C4'-P energy: -99.698
bonds (distance) P-C4' energy: -110.715
flat angles C4'-P-C4' energy: -104.352
flat angles P-C4'-P energy: -55.590
tors. eta vs tors. theta energy: -95.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1338.647168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.647168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.647168 (E_RNA)
where:
Base-Base interactions energy: -910.133
where: short stacking energy: -399.394
Base-Backbone interact. energy: 5.004
local terms energy: -433.517437
where:
bonds (distance) C4'-P energy: -81.073
bonds (distance) P-C4' energy: -86.280
flat angles C4'-P-C4' energy: -105.250
flat angles P-C4'-P energy: -64.708
tors. eta vs tors. theta energy: -96.207
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: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1070.353071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.353071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.353071 (E_RNA)
where:
Base-Base interactions energy: -689.636
where: short stacking energy: -295.214
Base-Backbone interact. energy: -1.999
local terms energy: -378.718144
where:
bonds (distance) C4'-P energy: -95.722
bonds (distance) P-C4' energy: -94.721
flat angles C4'-P-C4' energy: -89.738
flat angles P-C4'-P energy: -46.992
tors. eta vs tors. theta energy: -51.545
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: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -742.780918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.780918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.780918 (E_RNA)
where:
Base-Base interactions energy: -401.000
where: short stacking energy: -202.467
Base-Backbone interact. energy: -0.160
local terms energy: -341.621734
where:
bonds (distance) C4'-P energy: -72.541
bonds (distance) P-C4' energy: -99.165
flat angles C4'-P-C4' energy: -94.188
flat angles P-C4'-P energy: -62.618
tors. eta vs tors. theta energy: -13.109
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: 450
Temperature: 1.350000
Total energy: -440.059234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.059234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.059234 (E_RNA)
where:
Base-Base interactions energy: -179.578
where: short stacking energy: -116.274
Base-Backbone interact. energy: -2.920
local terms energy: -257.560892
where:
bonds (distance) C4'-P energy: -97.067
bonds (distance) P-C4' energy: -72.210
flat angles C4'-P-C4' energy: -75.844
flat angles P-C4'-P energy: -36.836
tors. eta vs tors. theta energy: 24.396
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: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1832.376610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.376610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.376610 (E_RNA)
where:
Base-Base interactions energy: -1259.110
where: short stacking energy: -530.535
Base-Backbone interact. energy: -1.088
local terms energy: -572.179131
where:
bonds (distance) C4'-P energy: -110.699
bonds (distance) P-C4' energy: -106.337
flat angles C4'-P-C4' energy: -121.088
flat angles P-C4'-P energy: -77.488
tors. eta vs tors. theta energy: -156.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1796.837024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.837024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.837024 (E_RNA)
where:
Base-Base interactions energy: -1226.986
where: short stacking energy: -546.862
Base-Backbone interact. energy: -0.243
local terms energy: -569.608265
where:
bonds (distance) C4'-P energy: -104.213
bonds (distance) P-C4' energy: -108.310
flat angles C4'-P-C4' energy: -116.184
flat angles P-C4'-P energy: -84.807
tors. eta vs tors. theta energy: -156.094
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: 3, replica: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1749.630250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.630250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.630250 (E_RNA)
where:
Base-Base interactions energy: -1176.245
where: short stacking energy: -487.560
Base-Backbone interact. energy: -2.539
local terms energy: -570.846731
where:
bonds (distance) C4'-P energy: -108.763
bonds (distance) P-C4' energy: -115.413
flat angles C4'-P-C4' energy: -117.293
flat angles P-C4'-P energy: -82.119
tors. eta vs tors. theta energy: -147.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1549.047810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.047810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.047810 (E_RNA)
where:
Base-Base interactions energy: -1059.808
where: short stacking energy: -477.467
Base-Backbone interact. energy: 0.057
local terms energy: -489.296673
where:
bonds (distance) C4'-P energy: -87.564
bonds (distance) P-C4' energy: -91.409
flat angles C4'-P-C4' energy: -116.738
flat angles P-C4'-P energy: -75.654
tors. eta vs tors. theta energy: -117.931
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: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1491.287065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.287065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.287065 (E_RNA)
where:
Base-Base interactions energy: -1002.019
where: short stacking energy: -424.627
Base-Backbone interact. energy: -1.591
local terms energy: -487.677319
where:
bonds (distance) C4'-P energy: -90.086
bonds (distance) P-C4' energy: -104.515
flat angles C4'-P-C4' energy: -102.089
flat angles P-C4'-P energy: -76.514
tors. eta vs tors. theta energy: -114.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1410.632184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.632184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.632184 (E_RNA)
where:
Base-Base interactions energy: -933.873
where: short stacking energy: -389.319
Base-Backbone interact. energy: -3.331
local terms energy: -473.428742
where:
bonds (distance) C4'-P energy: -88.855
bonds (distance) P-C4' energy: -90.174
flat angles C4'-P-C4' energy: -120.640
flat angles P-C4'-P energy: -69.804
tors. eta vs tors. theta energy: -103.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1344.532659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.532659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.532659 (E_RNA)
where:
Base-Base interactions energy: -904.013
where: short stacking energy: -389.102
Base-Backbone interact. energy: -3.992
local terms energy: -436.527238
where:
bonds (distance) C4'-P energy: -89.288
bonds (distance) P-C4' energy: -88.639
flat angles C4'-P-C4' energy: -100.938
flat angles P-C4'-P energy: -62.844
tors. eta vs tors. theta energy: -94.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1049.596916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.596916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.596916 (E_RNA)
where:
Base-Base interactions energy: -675.227
where: short stacking energy: -286.247
Base-Backbone interact. energy: 0.960
local terms energy: -375.330071
where:
bonds (distance) C4'-P energy: -71.780
bonds (distance) P-C4' energy: -98.718
flat angles C4'-P-C4' energy: -77.475
flat angles P-C4'-P energy: -72.243
tors. eta vs tors. theta energy: -55.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -720.349379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.349379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.349379 (E_RNA)
where:
Base-Base interactions energy: -370.020
where: short stacking energy: -205.396
Base-Backbone interact. energy: 3.609
local terms energy: -353.938002
where:
bonds (distance) C4'-P energy: -95.005
bonds (distance) P-C4' energy: -87.189
flat angles C4'-P-C4' energy: -85.382
flat angles P-C4'-P energy: -61.974
tors. eta vs tors. theta energy: -24.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -465.321888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.321888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.321888 (E_RNA)
where:
Base-Base interactions energy: -183.758
where: short stacking energy: -113.794
Base-Backbone interact. energy: 0.782
local terms energy: -282.345544
where:
bonds (distance) C4'-P energy: -79.297
bonds (distance) P-C4' energy: -105.343
flat angles C4'-P-C4' energy: -68.767
flat angles P-C4'-P energy: -51.087
tors. eta vs tors. theta energy: 22.148
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: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1835.736261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.736261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.736261 (E_RNA)
where:
Base-Base interactions energy: -1263.680
where: short stacking energy: -520.727
Base-Backbone interact. energy: -2.549
local terms energy: -569.507108
where:
bonds (distance) C4'-P energy: -106.401
bonds (distance) P-C4' energy: -109.539
flat angles C4'-P-C4' energy: -125.815
flat angles P-C4'-P energy: -78.001
tors. eta vs tors. theta energy: -149.753
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: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1822.264297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.264297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.264297 (E_RNA)
where:
Base-Base interactions energy: -1248.599
where: short stacking energy: -551.420
Base-Backbone interact. energy: -1.593
local terms energy: -572.072295
where:
bonds (distance) C4'-P energy: -104.485
bonds (distance) P-C4' energy: -110.288
flat angles C4'-P-C4' energy: -121.747
flat angles P-C4'-P energy: -68.826
tors. eta vs tors. theta energy: -166.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1756.539577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.539577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.539577 (E_RNA)
where:
Base-Base interactions energy: -1216.948
where: short stacking energy: -533.391
Base-Backbone interact. energy: 0.965
local terms energy: -540.556824
where:
bonds (distance) C4'-P energy: -91.748
bonds (distance) P-C4' energy: -99.085
flat angles C4'-P-C4' energy: -122.144
flat angles P-C4'-P energy: -78.913
tors. eta vs tors. theta energy: -148.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1586.049189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.049189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.049189 (E_RNA)
where:
Base-Base interactions energy: -1094.918
where: short stacking energy: -477.821
Base-Backbone interact. energy: -3.814
local terms energy: -487.317394
where:
bonds (distance) C4'-P energy: -86.274
bonds (distance) P-C4' energy: -104.824
flat angles C4'-P-C4' energy: -103.595
flat angles P-C4'-P energy: -64.418
tors. eta vs tors. theta energy: -128.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1521.347811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.347811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.347811 (E_RNA)
where:
Base-Base interactions energy: -1052.818
where: short stacking energy: -425.391
Base-Backbone interact. energy: -0.515
local terms energy: -468.015074
where:
bonds (distance) C4'-P energy: -90.860
bonds (distance) P-C4' energy: -102.634
flat angles C4'-P-C4' energy: -94.360
flat angles P-C4'-P energy: -63.117
tors. eta vs tors. theta energy: -117.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1411.206676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.206676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.206676 (E_RNA)
where:
Base-Base interactions energy: -943.392
where: short stacking energy: -409.826
Base-Backbone interact. energy: -1.975
local terms energy: -465.839897
where:
bonds (distance) C4'-P energy: -93.790
bonds (distance) P-C4' energy: -93.249
flat angles C4'-P-C4' energy: -107.618
flat angles P-C4'-P energy: -74.536
tors. eta vs tors. theta energy: -96.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1334.783867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.783867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.783867 (E_RNA)
where:
Base-Base interactions energy: -866.281
where: short stacking energy: -352.382
Base-Backbone interact. energy: -0.966
local terms energy: -467.537361
where:
bonds (distance) C4'-P energy: -107.347
bonds (distance) P-C4' energy: -108.121
flat angles C4'-P-C4' energy: -95.854
flat angles P-C4'-P energy: -65.051
tors. eta vs tors. theta energy: -91.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1065.075014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.075014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.075014 (E_RNA)
where:
Base-Base interactions energy: -688.962
where: short stacking energy: -314.531
Base-Backbone interact. energy: -0.521
local terms energy: -375.592933
where:
bonds (distance) C4'-P energy: -83.927
bonds (distance) P-C4' energy: -81.117
flat angles C4'-P-C4' energy: -95.009
flat angles P-C4'-P energy: -53.285
tors. eta vs tors. theta energy: -62.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -683.580107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.580107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.580107 (E_RNA)
where:
Base-Base interactions energy: -340.188
where: short stacking energy: -166.939
Base-Backbone interact. energy: -0.311
local terms energy: -343.080893
where:
bonds (distance) C4'-P energy: -83.677
bonds (distance) P-C4' energy: -104.562
flat angles C4'-P-C4' energy: -95.206
flat angles P-C4'-P energy: -51.820
tors. eta vs tors. theta energy: -7.816
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: 452
Temperature: 1.350000
Total energy: -480.181328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.181328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.181328 (E_RNA)
where:
Base-Base interactions energy: -223.744
where: short stacking energy: -152.556
Base-Backbone interact. energy: 7.983
local terms energy: -264.419788
where:
bonds (distance) C4'-P energy: -77.735
bonds (distance) P-C4' energy: -100.047
flat angles C4'-P-C4' energy: -51.099
flat angles P-C4'-P energy: -44.586
tors. eta vs tors. theta energy: 9.046
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: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1807.239400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.239400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.239400 (E_RNA)
where:
Base-Base interactions energy: -1228.004
where: short stacking energy: -510.775
Base-Backbone interact. energy: -4.418
local terms energy: -574.816780
where:
bonds (distance) C4'-P energy: -107.381
bonds (distance) P-C4' energy: -112.027
flat angles C4'-P-C4' energy: -132.033
flat angles P-C4'-P energy: -86.892
tors. eta vs tors. theta energy: -136.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1820.456444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.456444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.456444 (E_RNA)
where:
Base-Base interactions energy: -1261.317
where: short stacking energy: -559.920
Base-Backbone interact. energy: -1.408
local terms energy: -557.731001
where:
bonds (distance) C4'-P energy: -104.357
bonds (distance) P-C4' energy: -106.057
flat angles C4'-P-C4' energy: -110.237
flat angles P-C4'-P energy: -70.512
tors. eta vs tors. theta energy: -166.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1747.817870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.817870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.817870 (E_RNA)
where:
Base-Base interactions energy: -1184.246
where: short stacking energy: -504.078
Base-Backbone interact. energy: 0.981
local terms energy: -564.552685
where:
bonds (distance) C4'-P energy: -107.003
bonds (distance) P-C4' energy: -105.200
flat angles C4'-P-C4' energy: -121.471
flat angles P-C4'-P energy: -87.739
tors. eta vs tors. theta energy: -143.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1590.971021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.971021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.971021 (E_RNA)
where:
Base-Base interactions energy: -1092.880
where: short stacking energy: -441.997
Base-Backbone interact. energy: -0.838
local terms energy: -497.253678
where:
bonds (distance) C4'-P energy: -110.136
bonds (distance) P-C4' energy: -89.323
flat angles C4'-P-C4' energy: -98.371
flat angles P-C4'-P energy: -73.687
tors. eta vs tors. theta energy: -125.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1533.802729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.802729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.802729 (E_RNA)
where:
Base-Base interactions energy: -1034.070
where: short stacking energy: -446.512
Base-Backbone interact. energy: 1.643
local terms energy: -501.375437
where:
bonds (distance) C4'-P energy: -84.612
bonds (distance) P-C4' energy: -112.740
flat angles C4'-P-C4' energy: -96.059
flat angles P-C4'-P energy: -74.975
tors. eta vs tors. theta energy: -132.988
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: 1
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1377.302965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.302965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.302965 (E_RNA)
where:
Base-Base interactions energy: -916.690
where: short stacking energy: -410.843
Base-Backbone interact. energy: -3.381
local terms energy: -457.231036
where:
bonds (distance) C4'-P energy: -88.247
bonds (distance) P-C4' energy: -101.254
flat angles C4'-P-C4' energy: -108.768
flat angles P-C4'-P energy: -60.151
tors. eta vs tors. theta energy: -98.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1340.315233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.315233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.315233 (E_RNA)
where:
Base-Base interactions energy: -863.989
where: short stacking energy: -358.894
Base-Backbone interact. energy: -7.009
local terms energy: -469.317443
where:
bonds (distance) C4'-P energy: -101.894
bonds (distance) P-C4' energy: -94.597
flat angles C4'-P-C4' energy: -99.778
flat angles P-C4'-P energy: -82.097
tors. eta vs tors. theta energy: -90.952
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: 8, replica: 3
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1102.561778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.561778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.561778 (E_RNA)
where:
Base-Base interactions energy: -719.873
where: short stacking energy: -325.590
Base-Backbone interact. energy: -1.419
local terms energy: -381.269666
where:
bonds (distance) C4'-P energy: -94.305
bonds (distance) P-C4' energy: -79.795
flat angles C4'-P-C4' energy: -97.686
flat angles P-C4'-P energy: -47.361
tors. eta vs tors. theta energy: -62.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -711.687251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.687251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.687251 (E_RNA)
where:
Base-Base interactions energy: -369.085
where: short stacking energy: -178.996
Base-Backbone interact. energy: 4.737
local terms energy: -347.339348
where:
bonds (distance) C4'-P energy: -93.931
bonds (distance) P-C4' energy: -107.641
flat angles C4'-P-C4' energy: -81.056
flat angles P-C4'-P energy: -59.621
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -437.716661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.716661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.716661 (E_RNA)
where:
Base-Base interactions energy: -174.897
where: short stacking energy: -144.379
Base-Backbone interact. energy: 0.128
local terms energy: -262.947931
where:
bonds (distance) C4'-P energy: -73.939
bonds (distance) P-C4' energy: -69.814
flat angles C4'-P-C4' energy: -83.501
flat angles P-C4'-P energy: -49.671
tors. eta vs tors. theta energy: 13.977
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: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1830.479696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.479696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.479696 (E_RNA)
where:
Base-Base interactions energy: -1243.419
where: short stacking energy: -512.265
Base-Backbone interact. energy: -2.281
local terms energy: -584.779372
where:
bonds (distance) C4'-P energy: -110.359
bonds (distance) P-C4' energy: -119.476
flat angles C4'-P-C4' energy: -127.008
flat angles P-C4'-P energy: -74.658
tors. eta vs tors. theta energy: -153.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1790.720063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.720063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.720063 (E_RNA)
where:
Base-Base interactions energy: -1221.520
where: short stacking energy: -543.584
Base-Backbone interact. energy: -3.581
local terms energy: -565.618664
where:
bonds (distance) C4'-P energy: -102.088
bonds (distance) P-C4' energy: -98.691
flat angles C4'-P-C4' energy: -124.241
flat angles P-C4'-P energy: -83.786
tors. eta vs tors. theta energy: -156.812
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: 5
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1725.802996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.802996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.802996 (E_RNA)
where:
Base-Base interactions energy: -1160.173
where: short stacking energy: -499.516
Base-Backbone interact. energy: -1.589
local terms energy: -564.041087
where:
bonds (distance) C4'-P energy: -106.392
bonds (distance) P-C4' energy: -104.135
flat angles C4'-P-C4' energy: -114.407
flat angles P-C4'-P energy: -91.858
tors. eta vs tors. theta energy: -147.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1589.123492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.123492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.123492 (E_RNA)
where:
Base-Base interactions energy: -1063.817
where: short stacking energy: -443.891
Base-Backbone interact. energy: -0.260
local terms energy: -525.046570
where:
bonds (distance) C4'-P energy: -101.631
bonds (distance) P-C4' energy: -101.139
flat angles C4'-P-C4' energy: -108.529
flat angles P-C4'-P energy: -87.389
tors. eta vs tors. theta energy: -126.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1454.556798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.556798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.556798 (E_RNA)
where:
Base-Base interactions energy: -962.830
where: short stacking energy: -413.939
Base-Backbone interact. energy: -3.343
local terms energy: -488.383516
where:
bonds (distance) C4'-P energy: -101.517
bonds (distance) P-C4' energy: -106.656
flat angles C4'-P-C4' energy: -101.523
flat angles P-C4'-P energy: -69.530
tors. eta vs tors. theta energy: -109.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1478.496651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.496651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.496651 (E_RNA)
where:
Base-Base interactions energy: -1012.196
where: short stacking energy: -419.415
Base-Backbone interact. energy: 0.928
local terms energy: -467.229096
where:
bonds (distance) C4'-P energy: -85.678
bonds (distance) P-C4' energy: -94.106
flat angles C4'-P-C4' energy: -100.393
flat angles P-C4'-P energy: -72.772
tors. eta vs tors. theta energy: -114.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1312.780484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.780484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.780484 (E_RNA)
where:
Base-Base interactions energy: -864.082
where: short stacking energy: -364.780
Base-Backbone interact. energy: -2.938
local terms energy: -445.760440
where:
bonds (distance) C4'-P energy: -89.240
bonds (distance) P-C4' energy: -100.905
flat angles C4'-P-C4' energy: -101.100
flat angles P-C4'-P energy: -75.943
tors. eta vs tors. theta energy: -78.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1073.929157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.929157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.929157 (E_RNA)
where:
Base-Base interactions energy: -693.722
where: short stacking energy: -314.463
Base-Backbone interact. energy: -2.030
local terms energy: -378.176821
where:
bonds (distance) C4'-P energy: -80.482
bonds (distance) P-C4' energy: -87.942
flat angles C4'-P-C4' energy: -90.199
flat angles P-C4'-P energy: -62.972
tors. eta vs tors. theta energy: -56.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -722.212202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.212202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.212202 (E_RNA)
where:
Base-Base interactions energy: -428.545
where: short stacking energy: -216.709
Base-Backbone interact. energy: -2.830
local terms energy: -290.836921
where:
bonds (distance) C4'-P energy: -84.910
bonds (distance) P-C4' energy: -84.412
flat angles C4'-P-C4' energy: -76.876
flat angles P-C4'-P energy: -29.076
tors. eta vs tors. theta energy: -15.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -441.773114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.773114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.773114 (E_RNA)
where:
Base-Base interactions energy: -172.023
where: short stacking energy: -103.185
Base-Backbone interact. energy: -0.962
local terms energy: -268.787396
where:
bonds (distance) C4'-P energy: -96.746
bonds (distance) P-C4' energy: -86.731
flat angles C4'-P-C4' energy: -70.742
flat angles P-C4'-P energy: -31.032
tors. eta vs tors. theta energy: 16.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1830.541789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.541789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.541789 (E_RNA)
where:
Base-Base interactions energy: -1270.771
where: short stacking energy: -537.709
Base-Backbone interact. energy: -3.044
local terms energy: -556.726509
where:
bonds (distance) C4'-P energy: -101.651
bonds (distance) P-C4' energy: -110.135
flat angles C4'-P-C4' energy: -117.517
flat angles P-C4'-P energy: -74.893
tors. eta vs tors. theta energy: -152.530
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: 455
Temperature: 0.950000
Total energy: -1791.935375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.935375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.935375 (E_RNA)
where:
Base-Base interactions energy: -1217.901
where: short stacking energy: -559.433
Base-Backbone interact. energy: -4.926
local terms energy: -569.108246
where:
bonds (distance) C4'-P energy: -107.222
bonds (distance) P-C4' energy: -103.925
flat angles C4'-P-C4' energy: -116.353
flat angles P-C4'-P energy: -82.010
tors. eta vs tors. theta energy: -159.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1733.507939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.507939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.507939 (E_RNA)
where:
Base-Base interactions energy: -1193.689
where: short stacking energy: -515.502
Base-Backbone interact. energy: -0.582
local terms energy: -539.237008
where:
bonds (distance) C4'-P energy: -96.686
bonds (distance) P-C4' energy: -107.675
flat angles C4'-P-C4' energy: -118.421
flat angles P-C4'-P energy: -74.829
tors. eta vs tors. theta energy: -141.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1546.440768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.440768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.440768 (E_RNA)
where:
Base-Base interactions energy: -1024.639
where: short stacking energy: -434.131
Base-Backbone interact. energy: -4.031
local terms energy: -517.770751
where:
bonds (distance) C4'-P energy: -90.843
bonds (distance) P-C4' energy: -108.327
flat angles C4'-P-C4' energy: -118.089
flat angles P-C4'-P energy: -74.375
tors. eta vs tors. theta energy: -126.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1471.706185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.706185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.706185 (E_RNA)
where:
Base-Base interactions energy: -1000.038
where: short stacking energy: -414.227
Base-Backbone interact. energy: -0.464
local terms energy: -471.204286
where:
bonds (distance) C4'-P energy: -94.420
bonds (distance) P-C4' energy: -109.018
flat angles C4'-P-C4' energy: -102.907
flat angles P-C4'-P energy: -61.924
tors. eta vs tors. theta energy: -102.935
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: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1466.216814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.216814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.216814 (E_RNA)
where:
Base-Base interactions energy: -981.506
where: short stacking energy: -426.331
Base-Backbone interact. energy: 2.146
local terms energy: -486.857304
where:
bonds (distance) C4'-P energy: -96.313
bonds (distance) P-C4' energy: -90.889
flat angles C4'-P-C4' energy: -121.105
flat angles P-C4'-P energy: -66.748
tors. eta vs tors. theta energy: -111.802
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: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1357.656927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.656927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.656927 (E_RNA)
where:
Base-Base interactions energy: -939.045
where: short stacking energy: -394.407
Base-Backbone interact. energy: -3.253
local terms energy: -415.359372
where:
bonds (distance) C4'-P energy: -63.844
bonds (distance) P-C4' energy: -97.481
flat angles C4'-P-C4' energy: -92.427
flat angles P-C4'-P energy: -69.174
tors. eta vs tors. theta energy: -92.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1040.596048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.596048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.596048 (E_RNA)
where:
Base-Base interactions energy: -673.649
where: short stacking energy: -329.867
Base-Backbone interact. energy: -0.210
local terms energy: -366.737104
where:
bonds (distance) C4'-P energy: -88.849
bonds (distance) P-C4' energy: -87.850
flat angles C4'-P-C4' energy: -90.489
flat angles P-C4'-P energy: -42.175
tors. eta vs tors. theta energy: -57.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -791.983839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.983839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.983839 (E_RNA)
where:
Base-Base interactions energy: -441.536
where: short stacking energy: -246.264
Base-Backbone interact. energy: -2.869
local terms energy: -347.578236
where:
bonds (distance) C4'-P energy: -68.655
bonds (distance) P-C4' energy: -96.256
flat angles C4'-P-C4' energy: -85.574
flat angles P-C4'-P energy: -62.455
tors. eta vs tors. theta energy: -34.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -416.243628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.243628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.243628 (E_RNA)
where:
Base-Base interactions energy: -141.900
where: short stacking energy: -108.192
Base-Backbone interact. energy: 1.815
local terms energy: -276.158421
where:
bonds (distance) C4'-P energy: -95.207
bonds (distance) P-C4' energy: -84.489
flat angles C4'-P-C4' energy: -70.085
flat angles P-C4'-P energy: -44.908
tors. eta vs tors. theta energy: 18.531
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: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1812.907703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.907703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.907703 (E_RNA)
where:
Base-Base interactions energy: -1255.074
where: short stacking energy: -540.350
Base-Backbone interact. energy: -0.238
local terms energy: -557.595958
where:
bonds (distance) C4'-P energy: -102.020
bonds (distance) P-C4' energy: -115.519
flat angles C4'-P-C4' energy: -125.290
flat angles P-C4'-P energy: -74.862
tors. eta vs tors. theta energy: -139.906
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: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1796.430669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.430669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.430669 (E_RNA)
where:
Base-Base interactions energy: -1224.722
where: short stacking energy: -557.443
Base-Backbone interact. energy: -1.262
local terms energy: -570.447002
where:
bonds (distance) C4'-P energy: -90.563
bonds (distance) P-C4' energy: -111.467
flat angles C4'-P-C4' energy: -115.838
flat angles P-C4'-P energy: -84.962
tors. eta vs tors. theta energy: -167.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1727.052684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.052684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.052684 (E_RNA)
where:
Base-Base interactions energy: -1188.219
where: short stacking energy: -512.483
Base-Backbone interact. energy: -1.193
local terms energy: -537.640457
where:
bonds (distance) C4'-P energy: -104.398
bonds (distance) P-C4' energy: -104.889
flat angles C4'-P-C4' energy: -106.774
flat angles P-C4'-P energy: -74.515
tors. eta vs tors. theta energy: -147.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1570.318188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.318188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.318188 (E_RNA)
where:
Base-Base interactions energy: -1048.775
where: short stacking energy: -469.455
Base-Backbone interact. energy: -2.328
local terms energy: -519.215045
where:
bonds (distance) C4'-P energy: -99.421
bonds (distance) P-C4' energy: -119.747
flat angles C4'-P-C4' energy: -108.736
flat angles P-C4'-P energy: -68.682
tors. eta vs tors. theta energy: -122.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1430.722019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.722019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.722019 (E_RNA)
where:
Base-Base interactions energy: -957.695
where: short stacking energy: -427.357
Base-Backbone interact. energy: -1.553
local terms energy: -471.474061
where:
bonds (distance) C4'-P energy: -96.206
bonds (distance) P-C4' energy: -89.425
flat angles C4'-P-C4' energy: -103.069
flat angles P-C4'-P energy: -68.580
tors. eta vs tors. theta energy: -114.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1426.737799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.737799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.737799 (E_RNA)
where:
Base-Base interactions energy: -944.545
where: short stacking energy: -400.760
Base-Backbone interact. energy: -1.427
local terms energy: -480.765837
where:
bonds (distance) C4'-P energy: -95.365
bonds (distance) P-C4' energy: -97.332
flat angles C4'-P-C4' energy: -97.839
flat angles P-C4'-P energy: -73.639
tors. eta vs tors. theta energy: -116.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1293.690966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.690966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.690966 (E_RNA)
where:
Base-Base interactions energy: -878.664
where: short stacking energy: -354.611
Base-Backbone interact. energy: 0.572
local terms energy: -415.598145
where:
bonds (distance) C4'-P energy: -89.259
bonds (distance) P-C4' energy: -96.450
flat angles C4'-P-C4' energy: -88.684
flat angles P-C4'-P energy: -53.836
tors. eta vs tors. theta energy: -87.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1032.296964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.296964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.296964 (E_RNA)
where:
Base-Base interactions energy: -631.344
where: short stacking energy: -287.219
Base-Backbone interact. energy: -0.893
local terms energy: -400.060114
where:
bonds (distance) C4'-P energy: -101.569
bonds (distance) P-C4' energy: -101.536
flat angles C4'-P-C4' energy: -83.755
flat angles P-C4'-P energy: -58.536
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: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -772.137053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.137053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.137053 (E_RNA)
where:
Base-Base interactions energy: -448.784
where: short stacking energy: -209.052
Base-Backbone interact. energy: -3.091
local terms energy: -320.262666
where:
bonds (distance) C4'-P energy: -73.513
bonds (distance) P-C4' energy: -94.039
flat angles C4'-P-C4' energy: -94.786
flat angles P-C4'-P energy: -45.958
tors. eta vs tors. theta energy: -11.967
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: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -411.163644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.163644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.163644 (E_RNA)
where:
Base-Base interactions energy: -142.754
where: short stacking energy: -116.996
Base-Backbone interact. energy: 1.725
local terms energy: -270.134765
where:
bonds (distance) C4'-P energy: -76.376
bonds (distance) P-C4' energy: -98.898
flat angles C4'-P-C4' energy: -57.706
flat angles P-C4'-P energy: -54.033
tors. eta vs tors. theta energy: 16.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1828.612070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.612070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.612070 (E_RNA)
where:
Base-Base interactions energy: -1278.497
where: short stacking energy: -521.197
Base-Backbone interact. energy: 2.222
local terms energy: -552.337316
where:
bonds (distance) C4'-P energy: -93.913
bonds (distance) P-C4' energy: -112.973
flat angles C4'-P-C4' energy: -123.470
flat angles P-C4'-P energy: -79.007
tors. eta vs tors. theta energy: -142.974
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: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1788.881021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.881021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.881021 (E_RNA)
where:
Base-Base interactions energy: -1204.941
where: short stacking energy: -541.615
Base-Backbone interact. energy: -1.967
local terms energy: -581.973383
where:
bonds (distance) C4'-P energy: -100.395
bonds (distance) P-C4' energy: -113.306
flat angles C4'-P-C4' energy: -116.276
flat angles P-C4'-P energy: -89.982
tors. eta vs tors. theta energy: -162.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1715.943839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.943839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.943839 (E_RNA)
where:
Base-Base interactions energy: -1153.370
where: short stacking energy: -473.521
Base-Backbone interact. energy: 4.164
local terms energy: -566.737778
where:
bonds (distance) C4'-P energy: -110.837
bonds (distance) P-C4' energy: -114.256
flat angles C4'-P-C4' energy: -118.799
flat angles P-C4'-P energy: -71.394
tors. eta vs tors. theta energy: -151.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1594.749121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.749121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.749121 (E_RNA)
where:
Base-Base interactions energy: -1110.188
where: short stacking energy: -449.034
Base-Backbone interact. energy: 0.995
local terms energy: -485.556091
where:
bonds (distance) C4'-P energy: -90.747
bonds (distance) P-C4' energy: -106.880
flat angles C4'-P-C4' energy: -98.409
flat angles P-C4'-P energy: -70.265
tors. eta vs tors. theta energy: -119.254
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: 1
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1484.398936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.398936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.398936 (E_RNA)
where:
Base-Base interactions energy: -1004.994
where: short stacking energy: -447.937
Base-Backbone interact. energy: -0.573
local terms energy: -478.832609
where:
bonds (distance) C4'-P energy: -96.147
bonds (distance) P-C4' energy: -92.685
flat angles C4'-P-C4' energy: -103.293
flat angles P-C4'-P energy: -65.188
tors. eta vs tors. theta energy: -121.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1393.722564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.722564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.722564 (E_RNA)
where:
Base-Base interactions energy: -919.546
where: short stacking energy: -400.299
Base-Backbone interact. energy: -1.923
local terms energy: -472.253944
where:
bonds (distance) C4'-P energy: -104.907
bonds (distance) P-C4' energy: -93.363
flat angles C4'-P-C4' energy: -99.540
flat angles P-C4'-P energy: -66.682
tors. eta vs tors. theta energy: -107.762
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: 457
Temperature: 1.200000
Total energy: -1314.612950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.612950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.612950 (E_RNA)
where:
Base-Base interactions energy: -883.225
where: short stacking energy: -368.032
Base-Backbone interact. energy: 1.085
local terms energy: -432.472704
where:
bonds (distance) C4'-P energy: -93.292
bonds (distance) P-C4' energy: -97.925
flat angles C4'-P-C4' energy: -102.321
flat angles P-C4'-P energy: -57.787
tors. eta vs tors. theta energy: -81.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1047.299478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.299478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.299478 (E_RNA)
where:
Base-Base interactions energy: -666.574
where: short stacking energy: -309.506
Base-Backbone interact. energy: -2.324
local terms energy: -378.401545
where:
bonds (distance) C4'-P energy: -77.309
bonds (distance) P-C4' energy: -91.931
flat angles C4'-P-C4' energy: -97.678
flat angles P-C4'-P energy: -58.552
tors. eta vs tors. theta energy: -52.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -770.904475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.904475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.904475 (E_RNA)
where:
Base-Base interactions energy: -420.994
where: short stacking energy: -212.636
Base-Backbone interact. energy: -1.323
local terms energy: -348.587637
where:
bonds (distance) C4'-P energy: -88.389
bonds (distance) P-C4' energy: -85.956
flat angles C4'-P-C4' energy: -86.151
flat angles P-C4'-P energy: -57.137
tors. eta vs tors. theta energy: -30.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -419.830914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.830914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.830914 (E_RNA)
where:
Base-Base interactions energy: -148.246
where: short stacking energy: -127.248
Base-Backbone interact. energy: 10.254
local terms energy: -281.839259
where:
bonds (distance) C4'-P energy: -78.722
bonds (distance) P-C4' energy: -89.316
flat angles C4'-P-C4' energy: -93.176
flat angles P-C4'-P energy: -36.812
tors. eta vs tors. theta energy: 16.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1830.994915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.994915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.994915 (E_RNA)
where:
Base-Base interactions energy: -1251.060
where: short stacking energy: -514.913
Base-Backbone interact. energy: -3.660
local terms energy: -576.274874
where:
bonds (distance) C4'-P energy: -110.221
bonds (distance) P-C4' energy: -117.340
flat angles C4'-P-C4' energy: -117.153
flat angles P-C4'-P energy: -86.098
tors. eta vs tors. theta energy: -145.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1805.525110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.525110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.525110 (E_RNA)
where:
Base-Base interactions energy: -1238.033
where: short stacking energy: -555.441
Base-Backbone interact. energy: -0.340
local terms energy: -567.151696
where:
bonds (distance) C4'-P energy: -112.368
bonds (distance) P-C4' energy: -90.871
flat angles C4'-P-C4' energy: -121.695
flat angles P-C4'-P energy: -70.573
tors. eta vs tors. theta energy: -171.645
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: 3, replica: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1671.752910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.752910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.752910 (E_RNA)
where:
Base-Base interactions energy: -1167.045
where: short stacking energy: -510.013
Base-Backbone interact. energy: -3.304
local terms energy: -501.403600
where:
bonds (distance) C4'-P energy: -85.684
bonds (distance) P-C4' energy: -87.651
flat angles C4'-P-C4' energy: -111.754
flat angles P-C4'-P energy: -78.320
tors. eta vs tors. theta energy: -137.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1609.772135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.772135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.772135 (E_RNA)
where:
Base-Base interactions energy: -1107.322
where: short stacking energy: -451.448
Base-Backbone interact. energy: -3.757
local terms energy: -498.693486
where:
bonds (distance) C4'-P energy: -100.961
bonds (distance) P-C4' energy: -95.467
flat angles C4'-P-C4' energy: -99.125
flat angles P-C4'-P energy: -79.699
tors. eta vs tors. theta energy: -123.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1411.368223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.368223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.368223 (E_RNA)
where:
Base-Base interactions energy: -941.582
where: short stacking energy: -395.839
Base-Backbone interact. energy: -1.481
local terms energy: -468.304799
where:
bonds (distance) C4'-P energy: -86.106
bonds (distance) P-C4' energy: -107.769
flat angles C4'-P-C4' energy: -105.940
flat angles P-C4'-P energy: -68.006
tors. eta vs tors. theta energy: -100.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1449.164328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.164328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.164328 (E_RNA)
where:
Base-Base interactions energy: -980.516
where: short stacking energy: -420.645
Base-Backbone interact. energy: -2.086
local terms energy: -466.562755
where:
bonds (distance) C4'-P energy: -96.804
bonds (distance) P-C4' energy: -108.965
flat angles C4'-P-C4' energy: -101.315
flat angles P-C4'-P energy: -61.534
tors. eta vs tors. theta energy: -97.945
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: 458
Temperature: 1.200000
Total energy: -1320.580967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.580967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.580967 (E_RNA)
where:
Base-Base interactions energy: -881.120
where: short stacking energy: -369.078
Base-Backbone interact. energy: 1.075
local terms energy: -440.535782
where:
bonds (distance) C4'-P energy: -88.052
bonds (distance) P-C4' energy: -107.018
flat angles C4'-P-C4' energy: -94.007
flat angles P-C4'-P energy: -64.176
tors. eta vs tors. theta energy: -87.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1029.970259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.970259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.970259 (E_RNA)
where:
Base-Base interactions energy: -620.787
where: short stacking energy: -269.607
Base-Backbone interact. energy: 0.517
local terms energy: -409.700138
where:
bonds (distance) C4'-P energy: -90.944
bonds (distance) P-C4' energy: -111.349
flat angles C4'-P-C4' energy: -91.713
flat angles P-C4'-P energy: -67.507
tors. eta vs tors. theta energy: -48.188
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: 9, replica: 8
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -798.458884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.458884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.458884 (E_RNA)
where:
Base-Base interactions energy: -443.465
where: short stacking energy: -232.670
Base-Backbone interact. energy: 1.405
local terms energy: -356.399378
where:
bonds (distance) C4'-P energy: -95.697
bonds (distance) P-C4' energy: -103.010
flat angles C4'-P-C4' energy: -75.298
flat angles P-C4'-P energy: -53.616
tors. eta vs tors. theta energy: -28.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -429.909805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.909805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.909805 (E_RNA)
where:
Base-Base interactions energy: -168.344
where: short stacking energy: -157.558
Base-Backbone interact. energy: 1.607
local terms energy: -263.172628
where:
bonds (distance) C4'-P energy: -81.656
bonds (distance) P-C4' energy: -67.288
flat angles C4'-P-C4' energy: -87.812
flat angles P-C4'-P energy: -38.881
tors. eta vs tors. theta energy: 12.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1859.185936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.185936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.185936 (E_RNA)
where:
Base-Base interactions energy: -1293.036
where: short stacking energy: -524.786
Base-Backbone interact. energy: -1.752
local terms energy: -564.397260
where:
bonds (distance) C4'-P energy: -108.873
bonds (distance) P-C4' energy: -102.195
flat angles C4'-P-C4' energy: -113.496
flat angles P-C4'-P energy: -82.840
tors. eta vs tors. theta energy: -156.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1801.655348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.655348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.655348 (E_RNA)
where:
Base-Base interactions energy: -1222.893
where: short stacking energy: -547.761
Base-Backbone interact. energy: -1.763
local terms energy: -576.998699
where:
bonds (distance) C4'-P energy: -102.022
bonds (distance) P-C4' energy: -102.627
flat angles C4'-P-C4' energy: -121.921
flat angles P-C4'-P energy: -85.740
tors. eta vs tors. theta energy: -164.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1686.497386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.497386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.497386 (E_RNA)
where:
Base-Base interactions energy: -1173.013
where: short stacking energy: -472.501
Base-Backbone interact. energy: 0.096
local terms energy: -513.579696
where:
bonds (distance) C4'-P energy: -91.482
bonds (distance) P-C4' energy: -95.208
flat angles C4'-P-C4' energy: -110.338
flat angles P-C4'-P energy: -83.362
tors. eta vs tors. theta energy: -133.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1656.462166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.462166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.462166 (E_RNA)
where:
Base-Base interactions energy: -1167.772
where: short stacking energy: -469.980
Base-Backbone interact. energy: -1.907
local terms energy: -486.782733
where:
bonds (distance) C4'-P energy: -83.520
bonds (distance) P-C4' energy: -97.421
flat angles C4'-P-C4' energy: -107.702
flat angles P-C4'-P energy: -72.505
tors. eta vs tors. theta energy: -125.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1446.058439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.058439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.058439 (E_RNA)
where:
Base-Base interactions energy: -980.509
where: short stacking energy: -431.197
Base-Backbone interact. energy: -1.167
local terms energy: -464.382558
where:
bonds (distance) C4'-P energy: -93.049
bonds (distance) P-C4' energy: -93.098
flat angles C4'-P-C4' energy: -97.686
flat angles P-C4'-P energy: -69.324
tors. eta vs tors. theta energy: -111.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1432.576447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.576447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.576447 (E_RNA)
where:
Base-Base interactions energy: -968.144
where: short stacking energy: -424.665
Base-Backbone interact. energy: -1.125
local terms energy: -463.307106
where:
bonds (distance) C4'-P energy: -79.360
bonds (distance) P-C4' energy: -95.842
flat angles C4'-P-C4' energy: -104.956
flat angles P-C4'-P energy: -71.323
tors. eta vs tors. theta energy: -111.827
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: 7, replica: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1327.728257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.728257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.728257 (E_RNA)
where:
Base-Base interactions energy: -908.486
where: short stacking energy: -389.078
Base-Backbone interact. energy: -3.192
local terms energy: -416.049589
where:
bonds (distance) C4'-P energy: -88.773
bonds (distance) P-C4' energy: -90.139
flat angles C4'-P-C4' energy: -97.453
flat angles P-C4'-P energy: -59.499
tors. eta vs tors. theta energy: -80.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -977.841601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.841601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.841601 (E_RNA)
where:
Base-Base interactions energy: -598.229
where: short stacking energy: -279.195
Base-Backbone interact. energy: -0.984
local terms energy: -378.628620
where:
bonds (distance) C4'-P energy: -83.761
bonds (distance) P-C4' energy: -99.216
flat angles C4'-P-C4' energy: -91.838
flat angles P-C4'-P energy: -64.839
tors. eta vs tors. theta energy: -38.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -759.813445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.813445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.813445 (E_RNA)
where:
Base-Base interactions energy: -433.643
where: short stacking energy: -214.187
Base-Backbone interact. energy: 2.222
local terms energy: -328.392291
where:
bonds (distance) C4'-P energy: -91.496
bonds (distance) P-C4' energy: -88.853
flat angles C4'-P-C4' energy: -81.852
flat angles P-C4'-P energy: -47.330
tors. eta vs tors. theta energy: -18.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -433.109996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.109996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.109996 (E_RNA)
where:
Base-Base interactions energy: -184.654
where: short stacking energy: -120.678
Base-Backbone interact. energy: 10.440
local terms energy: -258.895407
where:
bonds (distance) C4'-P energy: -74.163
bonds (distance) P-C4' energy: -90.821
flat angles C4'-P-C4' energy: -88.202
flat angles P-C4'-P energy: -34.230
tors. eta vs tors. theta energy: 28.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1841.526991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.526991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.526991 (E_RNA)
where:
Base-Base interactions energy: -1249.999
where: short stacking energy: -527.374
Base-Backbone interact. energy: -2.091
local terms energy: -589.437325
where:
bonds (distance) C4'-P energy: -115.558
bonds (distance) P-C4' energy: -107.268
flat angles C4'-P-C4' energy: -126.980
flat angles P-C4'-P energy: -88.580
tors. eta vs tors. theta energy: -151.051
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: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1777.101863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.101863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.101863 (E_RNA)
where:
Base-Base interactions energy: -1180.135
where: short stacking energy: -533.594
Base-Backbone interact. energy: -3.433
local terms energy: -593.533223
where:
bonds (distance) C4'-P energy: -110.387
bonds (distance) P-C4' energy: -105.377
flat angles C4'-P-C4' energy: -133.190
flat angles P-C4'-P energy: -82.305
tors. eta vs tors. theta energy: -162.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1719.524537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.524537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.524537 (E_RNA)
where:
Base-Base interactions energy: -1164.555
where: short stacking energy: -508.338
Base-Backbone interact. energy: 0.439
local terms energy: -555.407822
where:
bonds (distance) C4'-P energy: -114.046
bonds (distance) P-C4' energy: -101.842
flat angles C4'-P-C4' energy: -111.585
flat angles P-C4'-P energy: -75.580
tors. eta vs tors. theta energy: -152.354
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: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1608.845547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.845547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.845547 (E_RNA)
where:
Base-Base interactions energy: -1092.730
where: short stacking energy: -471.147
Base-Backbone interact. energy: 6.151
local terms energy: -522.266229
where:
bonds (distance) C4'-P energy: -92.306
bonds (distance) P-C4' energy: -103.236
flat angles C4'-P-C4' energy: -117.067
flat angles P-C4'-P energy: -80.511
tors. eta vs tors. theta energy: -129.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1451.634542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.634542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.634542 (E_RNA)
where:
Base-Base interactions energy: -972.137
where: short stacking energy: -438.550
Base-Backbone interact. energy: -0.283
local terms energy: -479.214458
where:
bonds (distance) C4'-P energy: -96.878
bonds (distance) P-C4' energy: -91.996
flat angles C4'-P-C4' energy: -102.262
flat angles P-C4'-P energy: -77.446
tors. eta vs tors. theta energy: -110.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1391.831869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.831869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.831869 (E_RNA)
where:
Base-Base interactions energy: -928.281
where: short stacking energy: -408.383
Base-Backbone interact. energy: -6.379
local terms energy: -457.171048
where:
bonds (distance) C4'-P energy: -93.712
bonds (distance) P-C4' energy: -97.500
flat angles C4'-P-C4' energy: -98.101
flat angles P-C4'-P energy: -72.286
tors. eta vs tors. theta energy: -95.571
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: 4
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1318.467507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.467507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.467507 (E_RNA)
where:
Base-Base interactions energy: -886.150
where: short stacking energy: -372.559
Base-Backbone interact. energy: 5.519
local terms energy: -437.835980
where:
bonds (distance) C4'-P energy: -85.047
bonds (distance) P-C4' energy: -98.428
flat angles C4'-P-C4' energy: -97.390
flat angles P-C4'-P energy: -64.408
tors. eta vs tors. theta energy: -92.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -979.933072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.933072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.933072 (E_RNA)
where:
Base-Base interactions energy: -627.545
where: short stacking energy: -297.064
Base-Backbone interact. energy: -0.281
local terms energy: -352.107684
where:
bonds (distance) C4'-P energy: -78.188
bonds (distance) P-C4' energy: -82.740
flat angles C4'-P-C4' energy: -103.226
flat angles P-C4'-P energy: -41.761
tors. eta vs tors. theta energy: -46.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -753.498765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.498765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.498765 (E_RNA)
where:
Base-Base interactions energy: -427.450
where: short stacking energy: -197.975
Base-Backbone interact. energy: 0.801
local terms energy: -326.850248
where:
bonds (distance) C4'-P energy: -103.300
bonds (distance) P-C4' energy: -78.508
flat angles C4'-P-C4' energy: -77.282
flat angles P-C4'-P energy: -54.805
tors. eta vs tors. theta energy: -12.956
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: 460
Temperature: 1.350000
Total energy: -411.014079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.014079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.014079 (E_RNA)
where:
Base-Base interactions energy: -140.783
where: short stacking energy: -116.616
Base-Backbone interact. energy: 3.607
local terms energy: -273.837961
where:
bonds (distance) C4'-P energy: -67.749
bonds (distance) P-C4' energy: -101.542
flat angles C4'-P-C4' energy: -73.569
flat angles P-C4'-P energy: -55.887
tors. eta vs tors. theta energy: 24.909
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: 7
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1839.609746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.609746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.609746 (E_RNA)
where:
Base-Base interactions energy: -1262.617
where: short stacking energy: -520.924
Base-Backbone interact. energy: -4.364
local terms energy: -572.629528
where:
bonds (distance) C4'-P energy: -95.922
bonds (distance) P-C4' energy: -108.365
flat angles C4'-P-C4' energy: -129.099
flat angles P-C4'-P energy: -85.097
tors. eta vs tors. theta energy: -154.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1797.308646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.308646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.308646 (E_RNA)
where:
Base-Base interactions energy: -1218.871
where: short stacking energy: -555.002
Base-Backbone interact. energy: -4.239
local terms energy: -574.198569
where:
bonds (distance) C4'-P energy: -109.349
bonds (distance) P-C4' energy: -98.537
flat angles C4'-P-C4' energy: -117.696
flat angles P-C4'-P energy: -81.688
tors. eta vs tors. theta energy: -166.928
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: 5
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1690.625471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.625471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.625471 (E_RNA)
where:
Base-Base interactions energy: -1140.288
where: short stacking energy: -488.671
Base-Backbone interact. energy: -1.823
local terms energy: -548.514348
where:
bonds (distance) C4'-P energy: -107.086
bonds (distance) P-C4' energy: -108.703
flat angles C4'-P-C4' energy: -116.894
flat angles P-C4'-P energy: -77.179
tors. eta vs tors. theta energy: -138.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1665.503826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.503826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.503826 (E_RNA)
where:
Base-Base interactions energy: -1147.411
where: short stacking energy: -461.232
Base-Backbone interact. energy: -1.177
local terms energy: -516.916006
where:
bonds (distance) C4'-P energy: -101.527
bonds (distance) P-C4' energy: -98.172
flat angles C4'-P-C4' energy: -114.517
flat angles P-C4'-P energy: -87.650
tors. eta vs tors. theta energy: -115.051
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: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1464.578004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.578004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.578004 (E_RNA)
where:
Base-Base interactions energy: -990.240
where: short stacking energy: -438.718
Base-Backbone interact. energy: 0.472
local terms energy: -474.810130
where:
bonds (distance) C4'-P energy: -83.836
bonds (distance) P-C4' energy: -97.882
flat angles C4'-P-C4' energy: -107.861
flat angles P-C4'-P energy: -83.352
tors. eta vs tors. theta energy: -101.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1459.796761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.796761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.796761 (E_RNA)
where:
Base-Base interactions energy: -985.072
where: short stacking energy: -419.875
Base-Backbone interact. energy: -1.583
local terms energy: -473.141352
where:
bonds (distance) C4'-P energy: -96.130
bonds (distance) P-C4' energy: -95.069
flat angles C4'-P-C4' energy: -100.386
flat angles P-C4'-P energy: -59.783
tors. eta vs tors. theta energy: -121.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1327.333913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.333913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.333913 (E_RNA)
where:
Base-Base interactions energy: -879.746
where: short stacking energy: -368.930
Base-Backbone interact. energy: -0.852
local terms energy: -446.735963
where:
bonds (distance) C4'-P energy: -84.354
bonds (distance) P-C4' energy: -106.365
flat angles C4'-P-C4' energy: -96.230
flat angles P-C4'-P energy: -70.246
tors. eta vs tors. theta energy: -89.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1070.820058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.820058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.820058 (E_RNA)
where:
Base-Base interactions energy: -685.050
where: short stacking energy: -323.730
Base-Backbone interact. energy: -4.212
local terms energy: -381.558138
where:
bonds (distance) C4'-P energy: -76.730
bonds (distance) P-C4' energy: -89.316
flat angles C4'-P-C4' energy: -94.314
flat angles P-C4'-P energy: -55.448
tors. eta vs tors. theta energy: -65.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -751.614551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.614551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.614551 (E_RNA)
where:
Base-Base interactions energy: -444.004
where: short stacking energy: -205.249
Base-Backbone interact. energy: -2.192
local terms energy: -305.417959
where:
bonds (distance) C4'-P energy: -66.540
bonds (distance) P-C4' energy: -96.896
flat angles C4'-P-C4' energy: -83.571
flat angles P-C4'-P energy: -50.217
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: 461
Temperature: 1.350000
Total energy: -425.826329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.826329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.826329 (E_RNA)
where:
Base-Base interactions energy: -133.776
where: short stacking energy: -98.707
Base-Backbone interact. energy: -1.033
local terms energy: -291.016664
where:
bonds (distance) C4'-P energy: -96.396
bonds (distance) P-C4' energy: -100.776
flat angles C4'-P-C4' energy: -79.532
flat angles P-C4'-P energy: -37.213
tors. eta vs tors. theta energy: 22.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1826.959123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.959123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.959123 (E_RNA)
where:
Base-Base interactions energy: -1231.218
where: short stacking energy: -566.457
Base-Backbone interact. energy: -4.791
local terms energy: -590.949704
where:
bonds (distance) C4'-P energy: -105.789
bonds (distance) P-C4' energy: -102.741
flat angles C4'-P-C4' energy: -117.573
flat angles P-C4'-P energy: -90.780
tors. eta vs tors. theta energy: -174.066
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: 7
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1795.896754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.896754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.896754 (E_RNA)
where:
Base-Base interactions energy: -1248.988
where: short stacking energy: -524.393
Base-Backbone interact. energy: -2.578
local terms energy: -544.331073
where:
bonds (distance) C4'-P energy: -111.127
bonds (distance) P-C4' energy: -106.201
flat angles C4'-P-C4' energy: -112.229
flat angles P-C4'-P energy: -76.125
tors. eta vs tors. theta energy: -138.648
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: 462
Temperature: 1.000000
Total energy: -1701.777659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.777659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.777659 (E_RNA)
where:
Base-Base interactions energy: -1156.117
where: short stacking energy: -493.930
Base-Backbone interact. energy: -3.447
local terms energy: -542.213950
where:
bonds (distance) C4'-P energy: -104.915
bonds (distance) P-C4' energy: -106.946
flat angles C4'-P-C4' energy: -117.682
flat angles P-C4'-P energy: -71.562
tors. eta vs tors. theta energy: -141.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1670.667105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.667105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.667105 (E_RNA)
where:
Base-Base interactions energy: -1165.775
where: short stacking energy: -462.551
Base-Backbone interact. energy: -1.852
local terms energy: -503.040069
where:
bonds (distance) C4'-P energy: -102.999
bonds (distance) P-C4' energy: -98.848
flat angles C4'-P-C4' energy: -105.198
flat angles P-C4'-P energy: -74.946
tors. eta vs tors. theta energy: -121.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1503.165900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.165900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.165900 (E_RNA)
where:
Base-Base interactions energy: -1025.531
where: short stacking energy: -426.686
Base-Backbone interact. energy: 2.311
local terms energy: -479.945797
where:
bonds (distance) C4'-P energy: -87.817
bonds (distance) P-C4' energy: -98.724
flat angles C4'-P-C4' energy: -109.292
flat angles P-C4'-P energy: -68.566
tors. eta vs tors. theta energy: -115.547
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: 462
Temperature: 1.150000
Total energy: -1370.650868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.650868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.650868 (E_RNA)
where:
Base-Base interactions energy: -942.097
where: short stacking energy: -392.509
Base-Backbone interact. energy: -2.507
local terms energy: -426.046129
where:
bonds (distance) C4'-P energy: -95.040
bonds (distance) P-C4' energy: -97.655
flat angles C4'-P-C4' energy: -99.383
flat angles P-C4'-P energy: -50.781
tors. eta vs tors. theta energy: -83.187
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: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1310.494435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.494435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.494435 (E_RNA)
where:
Base-Base interactions energy: -882.976
where: short stacking energy: -381.637
Base-Backbone interact. energy: -2.254
local terms energy: -425.264456
where:
bonds (distance) C4'-P energy: -91.338
bonds (distance) P-C4' energy: -96.611
flat angles C4'-P-C4' energy: -94.323
flat angles P-C4'-P energy: -60.106
tors. eta vs tors. theta energy: -82.886
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: 3
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1046.496344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.496344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.496344 (E_RNA)
where:
Base-Base interactions energy: -667.222
where: short stacking energy: -295.284
Base-Backbone interact. energy: 0.463
local terms energy: -379.737209
where:
bonds (distance) C4'-P energy: -91.156
bonds (distance) P-C4' energy: -95.370
flat angles C4'-P-C4' energy: -92.264
flat angles P-C4'-P energy: -49.587
tors. eta vs tors. theta energy: -51.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -751.487218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.487218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.487218 (E_RNA)
where:
Base-Base interactions energy: -428.438
where: short stacking energy: -174.573
Base-Backbone interact. energy: 2.966
local terms energy: -326.015017
where:
bonds (distance) C4'-P energy: -86.204
bonds (distance) P-C4' energy: -106.859
flat angles C4'-P-C4' energy: -86.510
flat angles P-C4'-P energy: -52.635
tors. eta vs tors. theta energy: 6.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -432.521904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.521904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.521904 (E_RNA)
where:
Base-Base interactions energy: -157.190
where: short stacking energy: -119.819
Base-Backbone interact. energy: -0.497
local terms energy: -274.834877
where:
bonds (distance) C4'-P energy: -91.686
bonds (distance) P-C4' energy: -88.115
flat angles C4'-P-C4' energy: -77.300
flat angles P-C4'-P energy: -37.256
tors. eta vs tors. theta energy: 19.524
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: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1818.938622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.938622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.938622 (E_RNA)
where:
Base-Base interactions energy: -1234.305
where: short stacking energy: -552.957
Base-Backbone interact. energy: -0.929
local terms energy: -583.704447
where:
bonds (distance) C4'-P energy: -104.106
bonds (distance) P-C4' energy: -106.842
flat angles C4'-P-C4' energy: -121.199
flat angles P-C4'-P energy: -83.316
tors. eta vs tors. theta energy: -168.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1821.141875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.141875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.141875 (E_RNA)
where:
Base-Base interactions energy: -1253.639
where: short stacking energy: -534.069
Base-Backbone interact. energy: -0.518
local terms energy: -566.984346
where:
bonds (distance) C4'-P energy: -118.011
bonds (distance) P-C4' energy: -103.445
flat angles C4'-P-C4' energy: -118.659
flat angles P-C4'-P energy: -75.136
tors. eta vs tors. theta energy: -151.733
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: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1667.266943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.266943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.266943 (E_RNA)
where:
Base-Base interactions energy: -1125.832
where: short stacking energy: -491.466
Base-Backbone interact. energy: -3.356
local terms energy: -538.079110
where:
bonds (distance) C4'-P energy: -91.995
bonds (distance) P-C4' energy: -113.360
flat angles C4'-P-C4' energy: -120.563
flat angles P-C4'-P energy: -72.321
tors. eta vs tors. theta energy: -139.840
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: 4, replica: 6
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1676.641323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.641323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.641323 (E_RNA)
where:
Base-Base interactions energy: -1154.251
where: short stacking energy: -483.243
Base-Backbone interact. energy: -0.849
local terms energy: -521.541601
where:
bonds (distance) C4'-P energy: -106.407
bonds (distance) P-C4' energy: -106.134
flat angles C4'-P-C4' energy: -114.096
flat angles P-C4'-P energy: -67.438
tors. eta vs tors. theta energy: -127.467
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: 5, replica: 1
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1494.400470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.400470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.400470 (E_RNA)
where:
Base-Base interactions energy: -1033.255
where: short stacking energy: -417.760
Base-Backbone interact. energy: -1.590
local terms energy: -459.555584
where:
bonds (distance) C4'-P energy: -81.404
bonds (distance) P-C4' energy: -103.313
flat angles C4'-P-C4' energy: -94.368
flat angles P-C4'-P energy: -58.812
tors. eta vs tors. theta energy: -121.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1322.440038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.440038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.440038 (E_RNA)
where:
Base-Base interactions energy: -879.645
where: short stacking energy: -392.276
Base-Backbone interact. energy: -1.957
local terms energy: -440.837656
where:
bonds (distance) C4'-P energy: -100.941
bonds (distance) P-C4' energy: -88.919
flat angles C4'-P-C4' energy: -109.771
flat angles P-C4'-P energy: -53.454
tors. eta vs tors. theta energy: -87.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1318.463531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.463531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.463531 (E_RNA)
where:
Base-Base interactions energy: -886.706
where: short stacking energy: -370.867
Base-Backbone interact. energy: 0.906
local terms energy: -432.663876
where:
bonds (distance) C4'-P energy: -89.591
bonds (distance) P-C4' energy: -83.972
flat angles C4'-P-C4' energy: -96.228
flat angles P-C4'-P energy: -68.951
tors. eta vs tors. theta energy: -93.922
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: 3
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1052.177997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.177997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.177997 (E_RNA)
where:
Base-Base interactions energy: -683.460
where: short stacking energy: -315.465
Base-Backbone interact. energy: -2.134
local terms energy: -366.583298
where:
bonds (distance) C4'-P energy: -75.071
bonds (distance) P-C4' energy: -98.579
flat angles C4'-P-C4' energy: -90.679
flat angles P-C4'-P energy: -56.352
tors. eta vs tors. theta energy: -45.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -799.806091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.806091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.806091 (E_RNA)
where:
Base-Base interactions energy: -461.678
where: short stacking energy: -220.175
Base-Backbone interact. energy: 8.537
local terms energy: -346.664947
where:
bonds (distance) C4'-P energy: -91.340
bonds (distance) P-C4' energy: -105.564
flat angles C4'-P-C4' energy: -80.996
flat angles P-C4'-P energy: -51.808
tors. eta vs tors. theta energy: -16.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -431.531013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.531013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.531013 (E_RNA)
where:
Base-Base interactions energy: -154.062
where: short stacking energy: -138.866
Base-Backbone interact. energy: -0.470
local terms energy: -276.999275
where:
bonds (distance) C4'-P energy: -85.604
bonds (distance) P-C4' energy: -91.456
flat angles C4'-P-C4' energy: -65.415
flat angles P-C4'-P energy: -36.859
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: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1851.134608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.134608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.134608 (E_RNA)
where:
Base-Base interactions energy: -1241.882
where: short stacking energy: -576.026
Base-Backbone interact. energy: -3.397
local terms energy: -605.855865
where:
bonds (distance) C4'-P energy: -111.437
bonds (distance) P-C4' energy: -112.752
flat angles C4'-P-C4' energy: -122.080
flat angles P-C4'-P energy: -90.252
tors. eta vs tors. theta energy: -169.335
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: 7
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1800.097431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.097431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.097431 (E_RNA)
where:
Base-Base interactions energy: -1218.470
where: short stacking energy: -525.017
Base-Backbone interact. energy: -6.153
local terms energy: -575.474202
where:
bonds (distance) C4'-P energy: -104.763
bonds (distance) P-C4' energy: -107.027
flat angles C4'-P-C4' energy: -129.608
flat angles P-C4'-P energy: -83.116
tors. eta vs tors. theta energy: -150.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1656.113915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.113915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.113915 (E_RNA)
where:
Base-Base interactions energy: -1123.721
where: short stacking energy: -475.952
Base-Backbone interact. energy: -2.265
local terms energy: -530.127869
where:
bonds (distance) C4'-P energy: -106.458
bonds (distance) P-C4' energy: -99.157
flat angles C4'-P-C4' energy: -111.050
flat angles P-C4'-P energy: -82.719
tors. eta vs tors. theta energy: -130.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1668.074106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.074106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.074106 (E_RNA)
where:
Base-Base interactions energy: -1179.364
where: short stacking energy: -481.317
Base-Backbone interact. energy: 0.025
local terms energy: -488.734658
where:
bonds (distance) C4'-P energy: -84.431
bonds (distance) P-C4' energy: -91.338
flat angles C4'-P-C4' energy: -117.924
flat angles P-C4'-P energy: -64.317
tors. eta vs tors. theta energy: -130.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1472.009709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.009709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.009709 (E_RNA)
where:
Base-Base interactions energy: -985.935
where: short stacking energy: -412.229
Base-Backbone interact. energy: -1.969
local terms energy: -484.106073
where:
bonds (distance) C4'-P energy: -92.401
bonds (distance) P-C4' energy: -99.567
flat angles C4'-P-C4' energy: -106.871
flat angles P-C4'-P energy: -67.526
tors. eta vs tors. theta energy: -117.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1354.335957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.335957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.335957 (E_RNA)
where:
Base-Base interactions energy: -901.327
where: short stacking energy: -406.987
Base-Backbone interact. energy: -1.895
local terms energy: -451.114083
where:
bonds (distance) C4'-P energy: -88.694
bonds (distance) P-C4' energy: -103.061
flat angles C4'-P-C4' energy: -94.880
flat angles P-C4'-P energy: -64.930
tors. eta vs tors. theta energy: -99.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1338.435224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.435224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.435224 (E_RNA)
where:
Base-Base interactions energy: -883.684
where: short stacking energy: -394.762
Base-Backbone interact. energy: -0.431
local terms energy: -454.320107
where:
bonds (distance) C4'-P energy: -93.019
bonds (distance) P-C4' energy: -104.360
flat angles C4'-P-C4' energy: -97.323
flat angles P-C4'-P energy: -58.008
tors. eta vs tors. theta energy: -101.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1053.185408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.185408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.185408 (E_RNA)
where:
Base-Base interactions energy: -642.525
where: short stacking energy: -279.732
Base-Backbone interact. energy: -0.110
local terms energy: -410.550673
where:
bonds (distance) C4'-P energy: -81.631
bonds (distance) P-C4' energy: -96.954
flat angles C4'-P-C4' energy: -88.919
flat angles P-C4'-P energy: -79.759
tors. eta vs tors. theta energy: -63.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -816.835655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.835655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.835655 (E_RNA)
where:
Base-Base interactions energy: -480.141
where: short stacking energy: -235.788
Base-Backbone interact. energy: 4.154
local terms energy: -340.848629
where:
bonds (distance) C4'-P energy: -104.074
bonds (distance) P-C4' energy: -92.263
flat angles C4'-P-C4' energy: -74.218
flat angles P-C4'-P energy: -42.623
tors. eta vs tors. theta energy: -27.671
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: 464
Temperature: 1.350000
Total energy: -438.857889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.857889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.857889 (E_RNA)
where:
Base-Base interactions energy: -174.562
where: short stacking energy: -119.451
Base-Backbone interact. energy: -0.290
local terms energy: -264.005880
where:
bonds (distance) C4'-P energy: -101.385
bonds (distance) P-C4' energy: -88.455
flat angles C4'-P-C4' energy: -61.253
flat angles P-C4'-P energy: -28.137
tors. eta vs tors. theta energy: 15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1845.675498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.675498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.675498 (E_RNA)
where:
Base-Base interactions energy: -1229.022
where: short stacking energy: -568.342
Base-Backbone interact. energy: -2.357
local terms energy: -614.296503
where:
bonds (distance) C4'-P energy: -108.587
bonds (distance) P-C4' energy: -124.610
flat angles C4'-P-C4' energy: -130.031
flat angles P-C4'-P energy: -85.711
tors. eta vs tors. theta energy: -165.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1794.283297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.283297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.283297 (E_RNA)
where:
Base-Base interactions energy: -1227.194
where: short stacking energy: -520.777
Base-Backbone interact. energy: 1.753
local terms energy: -568.841710
where:
bonds (distance) C4'-P energy: -107.517
bonds (distance) P-C4' energy: -108.085
flat angles C4'-P-C4' energy: -126.912
flat angles P-C4'-P energy: -82.805
tors. eta vs tors. theta energy: -143.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1677.470122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.470122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.470122 (E_RNA)
where:
Base-Base interactions energy: -1133.672
where: short stacking energy: -486.357
Base-Backbone interact. energy: -2.651
local terms energy: -541.147602
where:
bonds (distance) C4'-P energy: -99.530
bonds (distance) P-C4' energy: -112.080
flat angles C4'-P-C4' energy: -110.481
flat angles P-C4'-P energy: -79.664
tors. eta vs tors. theta energy: -139.393
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: 6
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1616.488953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.488953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.488953 (E_RNA)
where:
Base-Base interactions energy: -1088.664
where: short stacking energy: -439.764
Base-Backbone interact. energy: -1.644
local terms energy: -526.181128
where:
bonds (distance) C4'-P energy: -106.368
bonds (distance) P-C4' energy: -96.809
flat angles C4'-P-C4' energy: -114.811
flat angles P-C4'-P energy: -78.207
tors. eta vs tors. theta energy: -129.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1466.526007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.526007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.526007 (E_RNA)
where:
Base-Base interactions energy: -993.720
where: short stacking energy: -409.460
Base-Backbone interact. energy: -3.048
local terms energy: -469.757798
where:
bonds (distance) C4'-P energy: -99.355
bonds (distance) P-C4' energy: -105.401
flat angles C4'-P-C4' energy: -109.192
flat angles P-C4'-P energy: -52.491
tors. eta vs tors. theta energy: -103.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1366.160672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.160672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.160672 (E_RNA)
where:
Base-Base interactions energy: -909.984
where: short stacking energy: -404.660
Base-Backbone interact. energy: -0.573
local terms energy: -455.604020
where:
bonds (distance) C4'-P energy: -83.153
bonds (distance) P-C4' energy: -109.153
flat angles C4'-P-C4' energy: -108.834
flat angles P-C4'-P energy: -66.706
tors. eta vs tors. theta energy: -87.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1309.303960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.303960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.303960 (E_RNA)
where:
Base-Base interactions energy: -880.961
where: short stacking energy: -379.564
Base-Backbone interact. energy: 3.770
local terms energy: -432.112654
where:
bonds (distance) C4'-P energy: -87.691
bonds (distance) P-C4' energy: -106.097
flat angles C4'-P-C4' energy: -93.405
flat angles P-C4'-P energy: -53.405
tors. eta vs tors. theta energy: -91.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1060.895437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.895437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.895437 (E_RNA)
where:
Base-Base interactions energy: -674.656
where: short stacking energy: -297.318
Base-Backbone interact. energy: 4.047
local terms energy: -390.286664
where:
bonds (distance) C4'-P energy: -90.501
bonds (distance) P-C4' energy: -101.990
flat angles C4'-P-C4' energy: -83.771
flat angles P-C4'-P energy: -60.603
tors. eta vs tors. theta energy: -53.422
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: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -728.623946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.623946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.623946 (E_RNA)
where:
Base-Base interactions energy: -407.909
where: short stacking energy: -220.404
Base-Backbone interact. energy: 3.402
local terms energy: -324.117276
where:
bonds (distance) C4'-P energy: -78.510
bonds (distance) P-C4' energy: -77.901
flat angles C4'-P-C4' energy: -79.558
flat angles P-C4'-P energy: -65.548
tors. eta vs tors. theta energy: -22.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -437.806595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.806595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.806595 (E_RNA)
where:
Base-Base interactions energy: -176.838
where: short stacking energy: -148.893
Base-Backbone interact. energy: 1.143
local terms energy: -262.111575
where:
bonds (distance) C4'-P energy: -94.989
bonds (distance) P-C4' energy: -91.742
flat angles C4'-P-C4' energy: -57.241
flat angles P-C4'-P energy: -38.931
tors. eta vs tors. theta energy: 20.793
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: 466
Temperature: 0.900000
Total energy: -1832.029791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.029791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.029791 (E_RNA)
where:
Base-Base interactions energy: -1239.826
where: short stacking energy: -575.264
Base-Backbone interact. energy: -2.265
local terms energy: -589.938214
where:
bonds (distance) C4'-P energy: -107.806
bonds (distance) P-C4' energy: -99.685
flat angles C4'-P-C4' energy: -131.445
flat angles P-C4'-P energy: -80.684
tors. eta vs tors. theta energy: -170.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1769.492990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.492990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.492990 (E_RNA)
where:
Base-Base interactions energy: -1199.994
where: short stacking energy: -503.695
Base-Backbone interact. energy: -3.504
local terms energy: -565.995392
where:
bonds (distance) C4'-P energy: -106.559
bonds (distance) P-C4' energy: -111.472
flat angles C4'-P-C4' energy: -121.283
flat angles P-C4'-P energy: -84.053
tors. eta vs tors. theta energy: -142.628
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: 3, replica: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1677.811005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.811005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.811005 (E_RNA)
where:
Base-Base interactions energy: -1149.654
where: short stacking energy: -488.868
Base-Backbone interact. energy: 1.329
local terms energy: -529.486258
where:
bonds (distance) C4'-P energy: -97.328
bonds (distance) P-C4' energy: -108.778
flat angles C4'-P-C4' energy: -115.570
flat angles P-C4'-P energy: -70.668
tors. eta vs tors. theta energy: -137.142
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: 6
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1613.217222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.217222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.217222 (E_RNA)
where:
Base-Base interactions energy: -1126.121
where: short stacking energy: -474.208
Base-Backbone interact. energy: 1.167
local terms energy: -488.262998
where:
bonds (distance) C4'-P energy: -84.493
bonds (distance) P-C4' energy: -90.052
flat angles C4'-P-C4' energy: -113.862
flat angles P-C4'-P energy: -74.659
tors. eta vs tors. theta energy: -125.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1461.721542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.721542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.721542 (E_RNA)
where:
Base-Base interactions energy: -962.728
where: short stacking energy: -415.293
Base-Backbone interact. energy: -1.123
local terms energy: -497.870673
where:
bonds (distance) C4'-P energy: -101.719
bonds (distance) P-C4' energy: -117.379
flat angles C4'-P-C4' energy: -104.720
flat angles P-C4'-P energy: -65.782
tors. eta vs tors. theta energy: -108.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1334.181389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.181389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.181389 (E_RNA)
where:
Base-Base interactions energy: -885.377
where: short stacking energy: -381.860
Base-Backbone interact. energy: -1.366
local terms energy: -447.438490
where:
bonds (distance) C4'-P energy: -102.910
bonds (distance) P-C4' energy: -95.131
flat angles C4'-P-C4' energy: -102.046
flat angles P-C4'-P energy: -55.537
tors. eta vs tors. theta energy: -91.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1289.340755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.340755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.340755 (E_RNA)
where:
Base-Base interactions energy: -858.663
where: short stacking energy: -378.488
Base-Backbone interact. energy: -3.293
local terms energy: -427.384778
where:
bonds (distance) C4'-P energy: -92.141
bonds (distance) P-C4' energy: -90.734
flat angles C4'-P-C4' energy: -103.702
flat angles P-C4'-P energy: -58.410
tors. eta vs tors. theta energy: -82.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1001.138377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.138377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.138377 (E_RNA)
where:
Base-Base interactions energy: -619.222
where: short stacking energy: -285.582
Base-Backbone interact. energy: -0.967
local terms energy: -380.949587
where:
bonds (distance) C4'-P energy: -72.604
bonds (distance) P-C4' energy: -95.901
flat angles C4'-P-C4' energy: -99.363
flat angles P-C4'-P energy: -65.754
tors. eta vs tors. theta energy: -47.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -737.439985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.439985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.439985 (E_RNA)
where:
Base-Base interactions energy: -427.486
where: short stacking energy: -222.864
Base-Backbone interact. energy: -1.367
local terms energy: -308.587784
where:
bonds (distance) C4'-P energy: -85.522
bonds (distance) P-C4' energy: -102.723
flat angles C4'-P-C4' energy: -63.487
flat angles P-C4'-P energy: -46.296
tors. eta vs tors. theta energy: -10.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -437.448296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.448296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.448296 (E_RNA)
where:
Base-Base interactions energy: -192.607
where: short stacking energy: -152.023
Base-Backbone interact. energy: 2.292
local terms energy: -247.134029
where:
bonds (distance) C4'-P energy: -79.356
bonds (distance) P-C4' energy: -86.021
flat angles C4'-P-C4' energy: -78.594
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: 12.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1821.645967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.645967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.645967 (E_RNA)
where:
Base-Base interactions energy: -1233.793
where: short stacking energy: -568.300
Base-Backbone interact. energy: -1.240
local terms energy: -586.612162
where:
bonds (distance) C4'-P energy: -115.361
bonds (distance) P-C4' energy: -94.895
flat angles C4'-P-C4' energy: -119.121
flat angles P-C4'-P energy: -86.787
tors. eta vs tors. theta energy: -170.448
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: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1767.428775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.428775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.428775 (E_RNA)
where:
Base-Base interactions energy: -1208.160
where: short stacking energy: -517.920
Base-Backbone interact. energy: -1.740
local terms energy: -557.528973
where:
bonds (distance) C4'-P energy: -103.990
bonds (distance) P-C4' energy: -104.950
flat angles C4'-P-C4' energy: -120.194
flat angles P-C4'-P energy: -81.689
tors. eta vs tors. theta energy: -146.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1689.318866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.318866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.318866 (E_RNA)
where:
Base-Base interactions energy: -1160.150
where: short stacking energy: -516.474
Base-Backbone interact. energy: -0.135
local terms energy: -529.034520
where:
bonds (distance) C4'-P energy: -96.164
bonds (distance) P-C4' energy: -97.052
flat angles C4'-P-C4' energy: -118.041
flat angles P-C4'-P energy: -82.558
tors. eta vs tors. theta energy: -135.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1591.588963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.588963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.588963 (E_RNA)
where:
Base-Base interactions energy: -1085.693
where: short stacking energy: -455.689
Base-Backbone interact. energy: 0.306
local terms energy: -506.202315
where:
bonds (distance) C4'-P energy: -92.602
bonds (distance) P-C4' energy: -99.665
flat angles C4'-P-C4' energy: -116.930
flat angles P-C4'-P energy: -74.910
tors. eta vs tors. theta energy: -122.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1495.160970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.160970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.160970 (E_RNA)
where:
Base-Base interactions energy: -1010.874
where: short stacking energy: -449.762
Base-Backbone interact. energy: -0.196
local terms energy: -484.091169
where:
bonds (distance) C4'-P energy: -91.467
bonds (distance) P-C4' energy: -102.088
flat angles C4'-P-C4' energy: -117.200
flat angles P-C4'-P energy: -64.602
tors. eta vs tors. theta energy: -108.735
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: 4
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1408.604059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.604059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.604059 (E_RNA)
where:
Base-Base interactions energy: -965.839
where: short stacking energy: -427.835
Base-Backbone interact. energy: 0.217
local terms energy: -442.982311
where:
bonds (distance) C4'-P energy: -92.150
bonds (distance) P-C4' energy: -90.997
flat angles C4'-P-C4' energy: -92.321
flat angles P-C4'-P energy: -59.083
tors. eta vs tors. theta energy: -108.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1336.620711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.620711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.620711 (E_RNA)
where:
Base-Base interactions energy: -904.253
where: short stacking energy: -393.355
Base-Backbone interact. energy: -1.805
local terms energy: -430.563382
where:
bonds (distance) C4'-P energy: -84.225
bonds (distance) P-C4' energy: -86.661
flat angles C4'-P-C4' energy: -106.295
flat angles P-C4'-P energy: -58.436
tors. eta vs tors. theta energy: -94.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1045.812815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.812815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.812815 (E_RNA)
where:
Base-Base interactions energy: -642.133
where: short stacking energy: -283.673
Base-Backbone interact. energy: -0.494
local terms energy: -403.186037
where:
bonds (distance) C4'-P energy: -97.554
bonds (distance) P-C4' energy: -101.513
flat angles C4'-P-C4' energy: -92.518
flat angles P-C4'-P energy: -62.571
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: 9, replica: 8
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -738.596041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.596041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.596041 (E_RNA)
where:
Base-Base interactions energy: -429.397
where: short stacking energy: -202.769
Base-Backbone interact. energy: -0.819
local terms energy: -308.379825
where:
bonds (distance) C4'-P energy: -74.824
bonds (distance) P-C4' energy: -92.578
flat angles C4'-P-C4' energy: -70.953
flat angles P-C4'-P energy: -60.636
tors. eta vs tors. theta energy: -9.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -427.528800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.528800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.528800 (E_RNA)
where:
Base-Base interactions energy: -148.634
where: short stacking energy: -126.149
Base-Backbone interact. energy: -0.410
local terms energy: -278.484947
where:
bonds (distance) C4'-P energy: -83.697
bonds (distance) P-C4' energy: -90.906
flat angles C4'-P-C4' energy: -78.377
flat angles P-C4'-P energy: -37.351
tors. eta vs tors. theta energy: 11.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1847.680422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.680422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.680422 (E_RNA)
where:
Base-Base interactions energy: -1255.524
where: short stacking energy: -558.973
Base-Backbone interact. energy: -0.468
local terms energy: -591.689275
where:
bonds (distance) C4'-P energy: -104.233
bonds (distance) P-C4' energy: -118.298
flat angles C4'-P-C4' energy: -124.222
flat angles P-C4'-P energy: -88.383
tors. eta vs tors. theta energy: -156.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1794.228676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.228676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.228676 (E_RNA)
where:
Base-Base interactions energy: -1232.202
where: short stacking energy: -535.405
Base-Backbone interact. energy: -0.341
local terms energy: -561.685793
where:
bonds (distance) C4'-P energy: -96.923
bonds (distance) P-C4' energy: -101.463
flat angles C4'-P-C4' energy: -126.795
flat angles P-C4'-P energy: -64.640
tors. eta vs tors. theta energy: -171.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1595.429156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.429156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.429156 (E_RNA)
where:
Base-Base interactions energy: -1076.018
where: short stacking energy: -464.725
Base-Backbone interact. energy: -3.876
local terms energy: -515.534545
where:
bonds (distance) C4'-P energy: -111.658
bonds (distance) P-C4' energy: -102.276
flat angles C4'-P-C4' energy: -111.224
flat angles P-C4'-P energy: -66.101
tors. eta vs tors. theta energy: -124.276
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: 5
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1648.721207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.721207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.721207 (E_RNA)
where:
Base-Base interactions energy: -1105.046
where: short stacking energy: -493.971
Base-Backbone interact. energy: -0.523
local terms energy: -543.152355
where:
bonds (distance) C4'-P energy: -102.774
bonds (distance) P-C4' energy: -112.326
flat angles C4'-P-C4' energy: -124.761
flat angles P-C4'-P energy: -71.673
tors. eta vs tors. theta energy: -131.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1443.251151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.251151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.251151 (E_RNA)
where:
Base-Base interactions energy: -972.112
where: short stacking energy: -425.279
Base-Backbone interact. energy: 2.374
local terms energy: -473.513544
where:
bonds (distance) C4'-P energy: -89.136
bonds (distance) P-C4' energy: -97.778
flat angles C4'-P-C4' energy: -114.696
flat angles P-C4'-P energy: -68.935
tors. eta vs tors. theta energy: -102.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1365.160749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.160749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.160749 (E_RNA)
where:
Base-Base interactions energy: -897.606
where: short stacking energy: -389.349
Base-Backbone interact. energy: 3.096
local terms energy: -470.650848
where:
bonds (distance) C4'-P energy: -87.132
bonds (distance) P-C4' energy: -102.313
flat angles C4'-P-C4' energy: -118.589
flat angles P-C4'-P energy: -72.678
tors. eta vs tors. theta energy: -89.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1391.414464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.414464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.414464 (E_RNA)
where:
Base-Base interactions energy: -936.601
where: short stacking energy: -425.527
Base-Backbone interact. energy: -2.324
local terms energy: -452.489047
where:
bonds (distance) C4'-P energy: -96.506
bonds (distance) P-C4' energy: -84.900
flat angles C4'-P-C4' energy: -100.898
flat angles P-C4'-P energy: -52.823
tors. eta vs tors. theta energy: -117.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1074.084140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.084140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.084140 (E_RNA)
where:
Base-Base interactions energy: -684.233
where: short stacking energy: -330.397
Base-Backbone interact. energy: 1.261
local terms energy: -391.111725
where:
bonds (distance) C4'-P energy: -70.896
bonds (distance) P-C4' energy: -91.905
flat angles C4'-P-C4' energy: -96.183
flat angles P-C4'-P energy: -66.296
tors. eta vs tors. theta energy: -65.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -754.857138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.857138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.857138 (E_RNA)
where:
Base-Base interactions energy: -432.444
where: short stacking energy: -208.492
Base-Backbone interact. energy: -0.256
local terms energy: -322.156583
where:
bonds (distance) C4'-P energy: -102.124
bonds (distance) P-C4' energy: -77.115
flat angles C4'-P-C4' energy: -76.013
flat angles P-C4'-P energy: -56.604
tors. eta vs tors. theta energy: -10.301
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: 468
Temperature: 1.350000
Total energy: -440.798902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.798902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.798902 (E_RNA)
where:
Base-Base interactions energy: -154.786
where: short stacking energy: -134.021
Base-Backbone interact. energy: -3.624
local terms energy: -282.389013
where:
bonds (distance) C4'-P energy: -95.187
bonds (distance) P-C4' energy: -67.392
flat angles C4'-P-C4' energy: -71.589
flat angles P-C4'-P energy: -57.197
tors. eta vs tors. theta energy: 8.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1809.371906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.371906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.371906 (E_RNA)
where:
Base-Base interactions energy: -1263.859
where: short stacking energy: -554.817
Base-Backbone interact. energy: -1.497
local terms energy: -544.015680
where:
bonds (distance) C4'-P energy: -82.637
bonds (distance) P-C4' energy: -101.747
flat angles C4'-P-C4' energy: -121.463
flat angles P-C4'-P energy: -96.767
tors. eta vs tors. theta energy: -141.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1787.563484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.563484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.563484 (E_RNA)
where:
Base-Base interactions energy: -1222.434
where: short stacking energy: -561.604
Base-Backbone interact. energy: -2.990
local terms energy: -562.140073
where:
bonds (distance) C4'-P energy: -102.050
bonds (distance) P-C4' energy: -91.230
flat angles C4'-P-C4' energy: -112.019
flat angles P-C4'-P energy: -87.915
tors. eta vs tors. theta energy: -168.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1632.488567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.488567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.488567 (E_RNA)
where:
Base-Base interactions energy: -1111.457
where: short stacking energy: -448.819
Base-Backbone interact. energy: -0.883
local terms energy: -520.148029
where:
bonds (distance) C4'-P energy: -105.114
bonds (distance) P-C4' energy: -101.417
flat angles C4'-P-C4' energy: -114.445
flat angles P-C4'-P energy: -78.578
tors. eta vs tors. theta energy: -120.594
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: 5
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1642.267318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.267318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.267318 (E_RNA)
where:
Base-Base interactions energy: -1121.363
where: short stacking energy: -497.367
Base-Backbone interact. energy: -2.030
local terms energy: -518.874004
where:
bonds (distance) C4'-P energy: -98.774
bonds (distance) P-C4' energy: -97.467
flat angles C4'-P-C4' energy: -120.071
flat angles P-C4'-P energy: -70.268
tors. eta vs tors. theta energy: -132.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1435.532010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.532010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.532010 (E_RNA)
where:
Base-Base interactions energy: -956.427
where: short stacking energy: -403.075
Base-Backbone interact. energy: -1.725
local terms energy: -477.380748
where:
bonds (distance) C4'-P energy: -95.819
bonds (distance) P-C4' energy: -102.897
flat angles C4'-P-C4' energy: -110.188
flat angles P-C4'-P energy: -65.548
tors. eta vs tors. theta energy: -102.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1415.591344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.591344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.591344 (E_RNA)
where:
Base-Base interactions energy: -935.939
where: short stacking energy: -407.436
Base-Backbone interact. energy: -1.965
local terms energy: -477.687275
where:
bonds (distance) C4'-P energy: -87.401
bonds (distance) P-C4' energy: -106.251
flat angles C4'-P-C4' energy: -104.902
flat angles P-C4'-P energy: -65.764
tors. eta vs tors. theta energy: -113.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1357.668110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.668110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.668110 (E_RNA)
where:
Base-Base interactions energy: -891.522
where: short stacking energy: -371.780
Base-Backbone interact. energy: -2.737
local terms energy: -463.408922
where:
bonds (distance) C4'-P energy: -90.117
bonds (distance) P-C4' energy: -101.397
flat angles C4'-P-C4' energy: -111.401
flat angles P-C4'-P energy: -70.348
tors. eta vs tors. theta energy: -90.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -973.991098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.991098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.991098 (E_RNA)
where:
Base-Base interactions energy: -609.900
where: short stacking energy: -278.575
Base-Backbone interact. energy: 0.299
local terms energy: -364.389497
where:
bonds (distance) C4'-P energy: -94.813
bonds (distance) P-C4' energy: -87.910
flat angles C4'-P-C4' energy: -86.976
flat angles P-C4'-P energy: -46.765
tors. eta vs tors. theta energy: -47.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -732.665001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.665001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.665001 (E_RNA)
where:
Base-Base interactions energy: -410.108
where: short stacking energy: -203.197
Base-Backbone interact. energy: 0.551
local terms energy: -323.107610
where:
bonds (distance) C4'-P energy: -94.665
bonds (distance) P-C4' energy: -79.479
flat angles C4'-P-C4' energy: -67.895
flat angles P-C4'-P energy: -66.804
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -462.562063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.562063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.562063 (E_RNA)
where:
Base-Base interactions energy: -188.292
where: short stacking energy: -136.476
Base-Backbone interact. energy: -1.381
local terms energy: -272.889489
where:
bonds (distance) C4'-P energy: -85.520
bonds (distance) P-C4' energy: -88.464
flat angles C4'-P-C4' energy: -73.979
flat angles P-C4'-P energy: -37.594
tors. eta vs tors. theta energy: 12.667
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: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1839.524816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.524816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.524816 (E_RNA)
where:
Base-Base interactions energy: -1253.189
where: short stacking energy: -552.200
Base-Backbone interact. energy: -4.829
local terms energy: -581.506830
where:
bonds (distance) C4'-P energy: -98.777
bonds (distance) P-C4' energy: -107.223
flat angles C4'-P-C4' energy: -121.850
flat angles P-C4'-P energy: -95.204
tors. eta vs tors. theta energy: -158.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1776.387651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.387651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.387651 (E_RNA)
where:
Base-Base interactions energy: -1227.897
where: short stacking energy: -517.173
Base-Backbone interact. energy: -2.956
local terms energy: -545.535057
where:
bonds (distance) C4'-P energy: -96.317
bonds (distance) P-C4' energy: -103.654
flat angles C4'-P-C4' energy: -117.792
flat angles P-C4'-P energy: -78.671
tors. eta vs tors. theta energy: -149.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1654.742605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.742605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.742605 (E_RNA)
where:
Base-Base interactions energy: -1160.863
where: short stacking energy: -470.271
Base-Backbone interact. energy: 0.806
local terms energy: -494.685969
where:
bonds (distance) C4'-P energy: -97.770
bonds (distance) P-C4' energy: -94.910
flat angles C4'-P-C4' energy: -113.140
flat angles P-C4'-P energy: -65.845
tors. eta vs tors. theta energy: -123.021
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: 470
Temperature: 1.050000
Total energy: -1655.529793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.529793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.529793 (E_RNA)
where:
Base-Base interactions energy: -1123.077
where: short stacking energy: -492.838
Base-Backbone interact. energy: -1.479
local terms energy: -530.973231
where:
bonds (distance) C4'-P energy: -95.630
bonds (distance) P-C4' energy: -97.388
flat angles C4'-P-C4' energy: -124.761
flat angles P-C4'-P energy: -60.733
tors. eta vs tors. theta energy: -152.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1496.897492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.897492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.897492 (E_RNA)
where:
Base-Base interactions energy: -1004.364
where: short stacking energy: -422.595
Base-Backbone interact. energy: -4.046
local terms energy: -488.487491
where:
bonds (distance) C4'-P energy: -87.409
bonds (distance) P-C4' energy: -102.332
flat angles C4'-P-C4' energy: -114.276
flat angles P-C4'-P energy: -68.295
tors. eta vs tors. theta energy: -116.176
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: 4
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1452.383910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.383910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.383910 (E_RNA)
where:
Base-Base interactions energy: -980.374
where: short stacking energy: -443.746
Base-Backbone interact. energy: -0.454
local terms energy: -471.555866
where:
bonds (distance) C4'-P energy: -85.283
bonds (distance) P-C4' energy: -104.444
flat angles C4'-P-C4' energy: -97.596
flat angles P-C4'-P energy: -70.401
tors. eta vs tors. theta energy: -113.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1370.110387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.110387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.110387 (E_RNA)
where:
Base-Base interactions energy: -924.247
where: short stacking energy: -409.356
Base-Backbone interact. energy: -0.260
local terms energy: -445.603119
where:
bonds (distance) C4'-P energy: -88.070
bonds (distance) P-C4' energy: -87.535
flat angles C4'-P-C4' energy: -98.761
flat angles P-C4'-P energy: -69.717
tors. eta vs tors. theta energy: -101.521
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: 470
Temperature: 1.250000
Total energy: -1021.787561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.787561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.787561 (E_RNA)
where:
Base-Base interactions energy: -647.961
where: short stacking energy: -285.115
Base-Backbone interact. energy: 1.782
local terms energy: -375.608101
where:
bonds (distance) C4'-P energy: -103.832
bonds (distance) P-C4' energy: -72.133
flat angles C4'-P-C4' energy: -75.301
flat angles P-C4'-P energy: -64.267
tors. eta vs tors. theta energy: -60.074
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: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -756.713661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.713661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.713661 (E_RNA)
where:
Base-Base interactions energy: -426.120
where: short stacking energy: -225.318
Base-Backbone interact. energy: -3.517
local terms energy: -327.077095
where:
bonds (distance) C4'-P energy: -86.042
bonds (distance) P-C4' energy: -98.049
flat angles C4'-P-C4' energy: -74.440
flat angles P-C4'-P energy: -51.139
tors. eta vs tors. theta energy: -17.408
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: 470
Temperature: 1.350000
Total energy: -464.154520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.154520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.154520 (E_RNA)
where:
Base-Base interactions energy: -196.405
where: short stacking energy: -151.697
Base-Backbone interact. energy: 6.583
local terms energy: -274.332534
where:
bonds (distance) C4'-P energy: -86.849
bonds (distance) P-C4' energy: -84.475
flat angles C4'-P-C4' energy: -64.195
flat angles P-C4'-P energy: -45.245
tors. eta vs tors. theta energy: 6.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1854.079470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.079470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.079470 (E_RNA)
where:
Base-Base interactions energy: -1254.825
where: short stacking energy: -566.707
Base-Backbone interact. energy: -1.976
local terms energy: -597.279095
where:
bonds (distance) C4'-P energy: -106.897
bonds (distance) P-C4' energy: -118.218
flat angles C4'-P-C4' energy: -118.102
flat angles P-C4'-P energy: -83.080
tors. eta vs tors. theta energy: -170.982
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: 2, replica: 7
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1778.895393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.895393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.895393 (E_RNA)
where:
Base-Base interactions energy: -1225.841
where: short stacking energy: -532.009
Base-Backbone interact. energy: -3.520
local terms energy: -549.534536
where:
bonds (distance) C4'-P energy: -103.017
bonds (distance) P-C4' energy: -100.350
flat angles C4'-P-C4' energy: -116.710
flat angles P-C4'-P energy: -81.891
tors. eta vs tors. theta energy: -147.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1673.329069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.329069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.329069 (E_RNA)
where:
Base-Base interactions energy: -1145.134
where: short stacking energy: -474.310
Base-Backbone interact. energy: -3.906
local terms energy: -524.288935
where:
bonds (distance) C4'-P energy: -100.444
bonds (distance) P-C4' energy: -99.158
flat angles C4'-P-C4' energy: -113.277
flat angles P-C4'-P energy: -70.760
tors. eta vs tors. theta energy: -140.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1642.795826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.795826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.795826 (E_RNA)
where:
Base-Base interactions energy: -1104.144
where: short stacking energy: -490.336
Base-Backbone interact. energy: -1.583
local terms energy: -537.068087
where:
bonds (distance) C4'-P energy: -93.992
bonds (distance) P-C4' energy: -97.906
flat angles C4'-P-C4' energy: -109.356
flat angles P-C4'-P energy: -87.983
tors. eta vs tors. theta energy: -147.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1478.010342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.010342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.010342 (E_RNA)
where:
Base-Base interactions energy: -1002.275
where: short stacking energy: -444.793
Base-Backbone interact. energy: -1.233
local terms energy: -474.502674
where:
bonds (distance) C4'-P energy: -77.195
bonds (distance) P-C4' energy: -117.457
flat angles C4'-P-C4' energy: -95.666
flat angles P-C4'-P energy: -68.791
tors. eta vs tors. theta energy: -115.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1396.328881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.328881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.328881 (E_RNA)
where:
Base-Base interactions energy: -924.866
where: short stacking energy: -409.771
Base-Backbone interact. energy: -2.149
local terms energy: -469.314183
where:
bonds (distance) C4'-P energy: -101.588
bonds (distance) P-C4' energy: -108.697
flat angles C4'-P-C4' energy: -102.984
flat angles P-C4'-P energy: -69.315
tors. eta vs tors. theta energy: -86.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1310.602634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.602634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.602634 (E_RNA)
where:
Base-Base interactions energy: -870.702
where: short stacking energy: -394.358
Base-Backbone interact. energy: -1.800
local terms energy: -438.100458
where:
bonds (distance) C4'-P energy: -73.329
bonds (distance) P-C4' energy: -89.940
flat angles C4'-P-C4' energy: -112.311
flat angles P-C4'-P energy: -63.599
tors. eta vs tors. theta energy: -98.922
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: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1030.886368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.886368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.886368 (E_RNA)
where:
Base-Base interactions energy: -620.894
where: short stacking energy: -264.221
Base-Backbone interact. energy: -0.957
local terms energy: -409.034901
where:
bonds (distance) C4'-P energy: -108.915
bonds (distance) P-C4' energy: -100.019
flat angles C4'-P-C4' energy: -104.507
flat angles P-C4'-P energy: -51.657
tors. eta vs tors. theta energy: -43.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -680.838934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.838934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.838934 (E_RNA)
where:
Base-Base interactions energy: -341.542
where: short stacking energy: -190.543
Base-Backbone interact. energy: -0.405
local terms energy: -338.891718
where:
bonds (distance) C4'-P energy: -91.678
bonds (distance) P-C4' energy: -107.461
flat angles C4'-P-C4' energy: -76.479
flat angles P-C4'-P energy: -47.301
tors. eta vs tors. theta energy: -15.973
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: 471
Temperature: 1.350000
Total energy: -433.770204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.770204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.770204 (E_RNA)
where:
Base-Base interactions energy: -141.202
where: short stacking energy: -125.260
Base-Backbone interact. energy: -0.693
local terms energy: -291.875497
where:
bonds (distance) C4'-P energy: -83.625
bonds (distance) P-C4' energy: -97.558
flat angles C4'-P-C4' energy: -80.903
flat angles P-C4'-P energy: -46.510
tors. eta vs tors. theta energy: 16.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1864.808512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.808512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.808512 (E_RNA)
where:
Base-Base interactions energy: -1252.126
where: short stacking energy: -562.754
Base-Backbone interact. energy: 0.148
local terms energy: -612.829577
where:
bonds (distance) C4'-P energy: -105.064
bonds (distance) P-C4' energy: -110.786
flat angles C4'-P-C4' energy: -129.590
flat angles P-C4'-P energy: -91.293
tors. eta vs tors. theta energy: -176.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1768.077697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.077697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.077697 (E_RNA)
where:
Base-Base interactions energy: -1223.763
where: short stacking energy: -528.142
Base-Backbone interact. energy: -4.290
local terms energy: -540.024495
where:
bonds (distance) C4'-P energy: -102.363
bonds (distance) P-C4' energy: -99.568
flat angles C4'-P-C4' energy: -114.831
flat angles P-C4'-P energy: -76.851
tors. eta vs tors. theta energy: -146.411
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: 5
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1723.409031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.409031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.409031 (E_RNA)
where:
Base-Base interactions energy: -1164.020
where: short stacking energy: -523.363
Base-Backbone interact. energy: -0.292
local terms energy: -559.097644
where:
bonds (distance) C4'-P energy: -100.087
bonds (distance) P-C4' energy: -108.986
flat angles C4'-P-C4' energy: -122.442
flat angles P-C4'-P energy: -76.602
tors. eta vs tors. theta energy: -150.981
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: 6
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1591.849541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.849541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.849541 (E_RNA)
where:
Base-Base interactions energy: -1080.185
where: short stacking energy: -470.537
Base-Backbone interact. energy: -2.937
local terms energy: -508.727203
where:
bonds (distance) C4'-P energy: -90.650
bonds (distance) P-C4' energy: -108.560
flat angles C4'-P-C4' energy: -123.036
flat angles P-C4'-P energy: -62.678
tors. eta vs tors. theta energy: -123.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1484.145721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.145721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.145721 (E_RNA)
where:
Base-Base interactions energy: -989.794
where: short stacking energy: -423.212
Base-Backbone interact. energy: -0.935
local terms energy: -493.416803
where:
bonds (distance) C4'-P energy: -95.217
bonds (distance) P-C4' energy: -112.834
flat angles C4'-P-C4' energy: -103.336
flat angles P-C4'-P energy: -71.655
tors. eta vs tors. theta energy: -110.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1401.223914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.223914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.223914 (E_RNA)
where:
Base-Base interactions energy: -949.084
where: short stacking energy: -388.130
Base-Backbone interact. energy: -1.637
local terms energy: -450.503620
where:
bonds (distance) C4'-P energy: -98.637
bonds (distance) P-C4' energy: -96.761
flat angles C4'-P-C4' energy: -95.712
flat angles P-C4'-P energy: -48.942
tors. eta vs tors. theta energy: -110.451
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: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1291.418547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.418547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.418547 (E_RNA)
where:
Base-Base interactions energy: -839.969
where: short stacking energy: -355.342
Base-Backbone interact. energy: -0.707
local terms energy: -450.742519
where:
bonds (distance) C4'-P energy: -95.605
bonds (distance) P-C4' energy: -96.045
flat angles C4'-P-C4' energy: -99.936
flat angles P-C4'-P energy: -69.668
tors. eta vs tors. theta energy: -89.489
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: 472
Temperature: 1.250000
Total energy: -989.937170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.937170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.937170 (E_RNA)
where:
Base-Base interactions energy: -617.409
where: short stacking energy: -283.242
Base-Backbone interact. energy: 1.572
local terms energy: -374.100975
where:
bonds (distance) C4'-P energy: -79.258
bonds (distance) P-C4' energy: -85.569
flat angles C4'-P-C4' energy: -100.517
flat angles P-C4'-P energy: -62.497
tors. eta vs tors. theta energy: -46.260
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: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -687.001434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.001434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.001434 (E_RNA)
where:
Base-Base interactions energy: -386.094
where: short stacking energy: -189.266
Base-Backbone interact. energy: 4.799
local terms energy: -305.705911
where:
bonds (distance) C4'-P energy: -93.414
bonds (distance) P-C4' energy: -99.644
flat angles C4'-P-C4' energy: -69.280
flat angles P-C4'-P energy: -49.129
tors. eta vs tors. theta energy: 5.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -493.644633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.644633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.644633 (E_RNA)
where:
Base-Base interactions energy: -193.069
where: short stacking energy: -125.326
Base-Backbone interact. energy: 0.666
local terms energy: -301.241166
where:
bonds (distance) C4'-P energy: -80.697
bonds (distance) P-C4' energy: -95.258
flat angles C4'-P-C4' energy: -85.355
flat angles P-C4'-P energy: -53.475
tors. eta vs tors. theta energy: 13.544
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: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1878.139322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.139322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.139322 (E_RNA)
where:
Base-Base interactions energy: -1289.963
where: short stacking energy: -575.044
Base-Backbone interact. energy: -5.570
local terms energy: -582.605953
where:
bonds (distance) C4'-P energy: -100.376
bonds (distance) P-C4' energy: -97.268
flat angles C4'-P-C4' energy: -125.785
flat angles P-C4'-P energy: -83.513
tors. eta vs tors. theta energy: -175.664
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: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1770.627039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.627039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.627039 (E_RNA)
where:
Base-Base interactions energy: -1216.904
where: short stacking energy: -525.409
Base-Backbone interact. energy: -1.123
local terms energy: -552.600584
where:
bonds (distance) C4'-P energy: -119.168
bonds (distance) P-C4' energy: -100.090
flat angles C4'-P-C4' energy: -118.210
flat angles P-C4'-P energy: -68.743
tors. eta vs tors. theta energy: -146.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1737.690224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.690224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.690224 (E_RNA)
where:
Base-Base interactions energy: -1175.688
where: short stacking energy: -550.622
Base-Backbone interact. energy: -0.386
local terms energy: -561.615943
where:
bonds (distance) C4'-P energy: -92.434
bonds (distance) P-C4' energy: -116.531
flat angles C4'-P-C4' energy: -113.877
flat angles P-C4'-P energy: -84.787
tors. eta vs tors. theta energy: -153.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1618.800132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.800132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.800132 (E_RNA)
where:
Base-Base interactions energy: -1083.789
where: short stacking energy: -462.606
Base-Backbone interact. energy: 1.520
local terms energy: -536.530606
where:
bonds (distance) C4'-P energy: -100.195
bonds (distance) P-C4' energy: -113.912
flat angles C4'-P-C4' energy: -117.763
flat angles P-C4'-P energy: -72.354
tors. eta vs tors. theta energy: -132.306
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: 5, replica: 4
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1439.039516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.039516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.039516 (E_RNA)
where:
Base-Base interactions energy: -976.675
where: short stacking energy: -410.175
Base-Backbone interact. energy: -1.573
local terms energy: -460.791673
where:
bonds (distance) C4'-P energy: -101.704
bonds (distance) P-C4' energy: -103.530
flat angles C4'-P-C4' energy: -98.367
flat angles P-C4'-P energy: -70.370
tors. eta vs tors. theta energy: -86.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1389.939875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.939875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.939875 (E_RNA)
where:
Base-Base interactions energy: -927.589
where: short stacking energy: -414.442
Base-Backbone interact. energy: -1.547
local terms energy: -460.804380
where:
bonds (distance) C4'-P energy: -87.272
bonds (distance) P-C4' energy: -100.164
flat angles C4'-P-C4' energy: -100.448
flat angles P-C4'-P energy: -71.108
tors. eta vs tors. theta energy: -101.812
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: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1325.621386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.621386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.621386 (E_RNA)
where:
Base-Base interactions energy: -890.344
where: short stacking energy: -378.764
Base-Backbone interact. energy: -2.193
local terms energy: -433.085035
where:
bonds (distance) C4'-P energy: -92.141
bonds (distance) P-C4' energy: -94.436
flat angles C4'-P-C4' energy: -102.415
flat angles P-C4'-P energy: -56.161
tors. eta vs tors. theta energy: -87.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1014.687812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.687812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.687812 (E_RNA)
where:
Base-Base interactions energy: -621.958
where: short stacking energy: -278.545
Base-Backbone interact. energy: 0.294
local terms energy: -393.024453
where:
bonds (distance) C4'-P energy: -102.224
bonds (distance) P-C4' energy: -98.204
flat angles C4'-P-C4' energy: -101.418
flat angles P-C4'-P energy: -45.464
tors. eta vs tors. theta energy: -45.714
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: 473
Temperature: 1.300000
Total energy: -673.667498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.667498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.667498 (E_RNA)
where:
Base-Base interactions energy: -336.589
where: short stacking energy: -194.149
Base-Backbone interact. energy: -0.667
local terms energy: -336.411540
where:
bonds (distance) C4'-P energy: -92.798
bonds (distance) P-C4' energy: -99.481
flat angles C4'-P-C4' energy: -79.693
flat angles P-C4'-P energy: -55.867
tors. eta vs tors. theta energy: -8.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -522.677686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.677686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.677686 (E_RNA)
where:
Base-Base interactions energy: -222.544
where: short stacking energy: -156.949
Base-Backbone interact. energy: -0.264
local terms energy: -299.869109
where:
bonds (distance) C4'-P energy: -93.985
bonds (distance) P-C4' energy: -88.176
flat angles C4'-P-C4' energy: -100.553
flat angles P-C4'-P energy: -35.706
tors. eta vs tors. theta energy: 18.551
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: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1886.769418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.769418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.769418 (E_RNA)
where:
Base-Base interactions energy: -1259.545
where: short stacking energy: -547.839
Base-Backbone interact. energy: -3.363
local terms energy: -623.861712
where:
bonds (distance) C4'-P energy: -117.778
bonds (distance) P-C4' energy: -122.272
flat angles C4'-P-C4' energy: -124.819
flat angles P-C4'-P energy: -88.171
tors. eta vs tors. theta energy: -170.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1799.654906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.654906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.654906 (E_RNA)
where:
Base-Base interactions energy: -1228.087
where: short stacking energy: -543.347
Base-Backbone interact. energy: -2.550
local terms energy: -569.018018
where:
bonds (distance) C4'-P energy: -102.658
bonds (distance) P-C4' energy: -103.520
flat angles C4'-P-C4' energy: -125.228
flat angles P-C4'-P energy: -85.372
tors. eta vs tors. theta energy: -152.240
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: 5
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1737.239820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.239820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.239820 (E_RNA)
where:
Base-Base interactions energy: -1191.852
where: short stacking energy: -525.316
Base-Backbone interact. energy: 0.068
local terms energy: -545.456559
where:
bonds (distance) C4'-P energy: -100.342
bonds (distance) P-C4' energy: -95.723
flat angles C4'-P-C4' energy: -108.604
flat angles P-C4'-P energy: -81.077
tors. eta vs tors. theta energy: -159.711
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: 6
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1553.226015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.226015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.226015 (E_RNA)
where:
Base-Base interactions energy: -1040.029
where: short stacking energy: -428.274
Base-Backbone interact. energy: -3.388
local terms energy: -509.809404
where:
bonds (distance) C4'-P energy: -82.722
bonds (distance) P-C4' energy: -112.389
flat angles C4'-P-C4' energy: -123.499
flat angles P-C4'-P energy: -79.178
tors. eta vs tors. theta energy: -112.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1450.853354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.853354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.853354 (E_RNA)
where:
Base-Base interactions energy: -960.565
where: short stacking energy: -407.285
Base-Backbone interact. energy: -2.596
local terms energy: -487.692464
where:
bonds (distance) C4'-P energy: -96.798
bonds (distance) P-C4' energy: -104.929
flat angles C4'-P-C4' energy: -98.952
flat angles P-C4'-P energy: -80.386
tors. eta vs tors. theta energy: -106.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1366.968646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.968646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.968646 (E_RNA)
where:
Base-Base interactions energy: -897.725
where: short stacking energy: -391.036
Base-Backbone interact. energy: -2.673
local terms energy: -466.570147
where:
bonds (distance) C4'-P energy: -97.491
bonds (distance) P-C4' energy: -90.377
flat angles C4'-P-C4' energy: -100.528
flat angles P-C4'-P energy: -71.123
tors. eta vs tors. theta energy: -107.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1321.472056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.472056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.472056 (E_RNA)
where:
Base-Base interactions energy: -892.346
where: short stacking energy: -379.933
Base-Backbone interact. energy: 5.913
local terms energy: -435.038570
where:
bonds (distance) C4'-P energy: -93.443
bonds (distance) P-C4' energy: -94.747
flat angles C4'-P-C4' energy: -93.265
flat angles P-C4'-P energy: -61.299
tors. eta vs tors. theta energy: -92.285
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: 8, replica: 3
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1018.765413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.765413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.765413 (E_RNA)
where:
Base-Base interactions energy: -646.504
where: short stacking energy: -289.950
Base-Backbone interact. energy: -2.888
local terms energy: -369.374011
where:
bonds (distance) C4'-P energy: -82.986
bonds (distance) P-C4' energy: -94.579
flat angles C4'-P-C4' energy: -68.902
flat angles P-C4'-P energy: -66.505
tors. eta vs tors. theta energy: -56.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -664.926268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.926268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.926268 (E_RNA)
where:
Base-Base interactions energy: -353.280
where: short stacking energy: -203.538
Base-Backbone interact. energy: 1.514
local terms energy: -313.160243
where:
bonds (distance) C4'-P energy: -89.776
bonds (distance) P-C4' energy: -86.920
flat angles C4'-P-C4' energy: -85.195
flat angles P-C4'-P energy: -44.857
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -516.085213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.085213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.085213 (E_RNA)
where:
Base-Base interactions energy: -219.819
where: short stacking energy: -139.199
Base-Backbone interact. energy: 1.378
local terms energy: -297.644626
where:
bonds (distance) C4'-P energy: -84.233
bonds (distance) P-C4' energy: -100.985
flat angles C4'-P-C4' energy: -89.817
flat angles P-C4'-P energy: -31.994
tors. eta vs tors. theta energy: 9.385
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: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1872.461728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.461728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.461728 (E_RNA)
where:
Base-Base interactions energy: -1273.990
where: short stacking energy: -549.865
Base-Backbone interact. energy: 0.188
local terms energy: -598.659348
where:
bonds (distance) C4'-P energy: -107.619
bonds (distance) P-C4' energy: -111.587
flat angles C4'-P-C4' energy: -130.645
flat angles P-C4'-P energy: -84.751
tors. eta vs tors. theta energy: -164.058
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: 7
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1801.661347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.661347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.661347 (E_RNA)
where:
Base-Base interactions energy: -1239.880
where: short stacking energy: -537.823
Base-Backbone interact. energy: -4.024
local terms energy: -557.757473
where:
bonds (distance) C4'-P energy: -95.854
bonds (distance) P-C4' energy: -116.699
flat angles C4'-P-C4' energy: -120.323
flat angles P-C4'-P energy: -69.574
tors. eta vs tors. theta energy: -155.307
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: 3, replica: 5
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1744.051381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.051381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.051381 (E_RNA)
where:
Base-Base interactions energy: -1170.296
where: short stacking energy: -510.340
Base-Backbone interact. energy: -2.158
local terms energy: -571.597256
where:
bonds (distance) C4'-P energy: -113.727
bonds (distance) P-C4' energy: -104.117
flat angles C4'-P-C4' energy: -113.083
flat angles P-C4'-P energy: -85.816
tors. eta vs tors. theta energy: -154.854
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: 6
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1582.971832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.971832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.971832 (E_RNA)
where:
Base-Base interactions energy: -1050.301
where: short stacking energy: -477.685
Base-Backbone interact. energy: -1.209
local terms energy: -531.462373
where:
bonds (distance) C4'-P energy: -88.100
bonds (distance) P-C4' energy: -111.409
flat angles C4'-P-C4' energy: -122.798
flat angles P-C4'-P energy: -82.400
tors. eta vs tors. theta energy: -126.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1497.042175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.042175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.042175 (E_RNA)
where:
Base-Base interactions energy: -986.499
where: short stacking energy: -447.214
Base-Backbone interact. energy: -2.392
local terms energy: -508.151170
where:
bonds (distance) C4'-P energy: -102.355
bonds (distance) P-C4' energy: -103.285
flat angles C4'-P-C4' energy: -106.860
flat angles P-C4'-P energy: -81.670
tors. eta vs tors. theta energy: -113.981
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: 6, replica: 1
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1398.827299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.827299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.827299 (E_RNA)
where:
Base-Base interactions energy: -925.963
where: short stacking energy: -414.147
Base-Backbone interact. energy: -3.270
local terms energy: -469.595023
where:
bonds (distance) C4'-P energy: -98.189
bonds (distance) P-C4' energy: -94.996
flat angles C4'-P-C4' energy: -106.903
flat angles P-C4'-P energy: -69.223
tors. eta vs tors. theta energy: -100.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1350.749964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.749964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.749964 (E_RNA)
where:
Base-Base interactions energy: -892.766
where: short stacking energy: -372.787
Base-Backbone interact. energy: -3.392
local terms energy: -454.591905
where:
bonds (distance) C4'-P energy: -103.191
bonds (distance) P-C4' energy: -96.310
flat angles C4'-P-C4' energy: -100.156
flat angles P-C4'-P energy: -71.273
tors. eta vs tors. theta energy: -83.662
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: 3
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1009.142518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.142518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.142518 (E_RNA)
where:
Base-Base interactions energy: -628.771
where: short stacking energy: -292.523
Base-Backbone interact. energy: 3.229
local terms energy: -383.600236
where:
bonds (distance) C4'-P energy: -100.677
bonds (distance) P-C4' energy: -95.656
flat angles C4'-P-C4' energy: -93.599
flat angles P-C4'-P energy: -55.648
tors. eta vs tors. theta energy: -38.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -681.115442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.115442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.115442 (E_RNA)
where:
Base-Base interactions energy: -344.992
where: short stacking energy: -190.525
Base-Backbone interact. energy: -1.960
local terms energy: -334.163408
where:
bonds (distance) C4'-P energy: -80.519
bonds (distance) P-C4' energy: -97.614
flat angles C4'-P-C4' energy: -81.431
flat angles P-C4'-P energy: -53.204
tors. eta vs tors. theta energy: -21.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -492.364801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.364801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.364801 (E_RNA)
where:
Base-Base interactions energy: -218.181
where: short stacking energy: -122.440
Base-Backbone interact. energy: 5.470
local terms energy: -279.654204
where:
bonds (distance) C4'-P energy: -84.913
bonds (distance) P-C4' energy: -100.727
flat angles C4'-P-C4' energy: -81.923
flat angles P-C4'-P energy: -40.927
tors. eta vs tors. theta energy: 28.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1883.342915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.342915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.342915 (E_RNA)
where:
Base-Base interactions energy: -1299.653
where: short stacking energy: -570.669
Base-Backbone interact. energy: -2.738
local terms energy: -580.951759
where:
bonds (distance) C4'-P energy: -102.860
bonds (distance) P-C4' energy: -115.859
flat angles C4'-P-C4' energy: -123.123
flat angles P-C4'-P energy: -73.862
tors. eta vs tors. theta energy: -165.247
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: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1769.448208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.448208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.448208 (E_RNA)
where:
Base-Base interactions energy: -1212.673
where: short stacking energy: -528.423
Base-Backbone interact. energy: -0.691
local terms energy: -556.084201
where:
bonds (distance) C4'-P energy: -91.823
bonds (distance) P-C4' energy: -113.645
flat angles C4'-P-C4' energy: -117.826
flat angles P-C4'-P energy: -85.970
tors. eta vs tors. theta energy: -146.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1746.163208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.163208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.163208 (E_RNA)
where:
Base-Base interactions energy: -1183.762
where: short stacking energy: -520.170
Base-Backbone interact. energy: -2.921
local terms energy: -559.480379
where:
bonds (distance) C4'-P energy: -100.593
bonds (distance) P-C4' energy: -109.090
flat angles C4'-P-C4' energy: -113.672
flat angles P-C4'-P energy: -73.925
tors. eta vs tors. theta energy: -162.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1531.733489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.733489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.733489 (E_RNA)
where:
Base-Base interactions energy: -1015.530
where: short stacking energy: -448.290
Base-Backbone interact. energy: -2.675
local terms energy: -513.528340
where:
bonds (distance) C4'-P energy: -109.987
bonds (distance) P-C4' energy: -107.660
flat angles C4'-P-C4' energy: -101.650
flat angles P-C4'-P energy: -69.248
tors. eta vs tors. theta energy: -124.983
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: 5, replica: 4
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1421.333435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.333435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.333435 (E_RNA)
where:
Base-Base interactions energy: -956.836
where: short stacking energy: -420.613
Base-Backbone interact. energy: 2.253
local terms energy: -466.750101
where:
bonds (distance) C4'-P energy: -108.823
bonds (distance) P-C4' energy: -101.549
flat angles C4'-P-C4' energy: -106.301
flat angles P-C4'-P energy: -57.431
tors. eta vs tors. theta energy: -92.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1396.944673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.944673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.944673 (E_RNA)
where:
Base-Base interactions energy: -900.133
where: short stacking energy: -374.473
Base-Backbone interact. energy: -1.524
local terms energy: -495.288166
where:
bonds (distance) C4'-P energy: -112.269
bonds (distance) P-C4' energy: -96.634
flat angles C4'-P-C4' energy: -110.649
flat angles P-C4'-P energy: -81.344
tors. eta vs tors. theta energy: -94.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1305.744747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.744747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.744747 (E_RNA)
where:
Base-Base interactions energy: -868.338
where: short stacking energy: -373.164
Base-Backbone interact. energy: -2.516
local terms energy: -434.890888
where:
bonds (distance) C4'-P energy: -87.082
bonds (distance) P-C4' energy: -87.589
flat angles C4'-P-C4' energy: -97.705
flat angles P-C4'-P energy: -72.022
tors. eta vs tors. theta energy: -90.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -958.975053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.975053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.975053 (E_RNA)
where:
Base-Base interactions energy: -580.084
where: short stacking energy: -263.532
Base-Backbone interact. energy: -0.906
local terms energy: -377.985128
where:
bonds (distance) C4'-P energy: -94.076
bonds (distance) P-C4' energy: -95.951
flat angles C4'-P-C4' energy: -94.526
flat angles P-C4'-P energy: -57.111
tors. eta vs tors. theta energy: -36.321
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: 9, replica: 8
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -720.345344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.345344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.345344 (E_RNA)
where:
Base-Base interactions energy: -392.390
where: short stacking energy: -202.492
Base-Backbone interact. energy: -4.032
local terms energy: -323.923667
where:
bonds (distance) C4'-P energy: -98.774
bonds (distance) P-C4' energy: -81.229
flat angles C4'-P-C4' energy: -79.482
flat angles P-C4'-P energy: -50.349
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -497.676971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.676971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.676971 (E_RNA)
where:
Base-Base interactions energy: -214.603
where: short stacking energy: -126.093
Base-Backbone interact. energy: 5.645
local terms energy: -288.718477
where:
bonds (distance) C4'-P energy: -103.686
bonds (distance) P-C4' energy: -89.420
flat angles C4'-P-C4' energy: -75.695
flat angles P-C4'-P energy: -38.790
tors. eta vs tors. theta energy: 18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1869.609744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.609744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.609744 (E_RNA)
where:
Base-Base interactions energy: -1268.659
where: short stacking energy: -543.920
Base-Backbone interact. energy: -3.518
local terms energy: -597.432592
where:
bonds (distance) C4'-P energy: -99.828
bonds (distance) P-C4' energy: -108.163
flat angles C4'-P-C4' energy: -122.731
flat angles P-C4'-P energy: -92.393
tors. eta vs tors. theta energy: -174.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1758.501232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.501232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.501232 (E_RNA)
where:
Base-Base interactions energy: -1177.679
where: short stacking energy: -527.576
Base-Backbone interact. energy: -2.273
local terms energy: -578.548886
where:
bonds (distance) C4'-P energy: -106.601
bonds (distance) P-C4' energy: -111.036
flat angles C4'-P-C4' energy: -118.970
flat angles P-C4'-P energy: -89.337
tors. eta vs tors. theta energy: -152.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1689.264622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.264622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.264622 (E_RNA)
where:
Base-Base interactions energy: -1165.925
where: short stacking energy: -462.848
Base-Backbone interact. energy: 1.238
local terms energy: -524.577642
where:
bonds (distance) C4'-P energy: -95.471
bonds (distance) P-C4' energy: -102.883
flat angles C4'-P-C4' energy: -116.549
flat angles P-C4'-P energy: -73.247
tors. eta vs tors. theta energy: -136.428
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: 4, replica: 6
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1560.187219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.187219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.187219 (E_RNA)
where:
Base-Base interactions energy: -1059.742
where: short stacking energy: -451.681
Base-Backbone interact. energy: -2.878
local terms energy: -497.566910
where:
bonds (distance) C4'-P energy: -91.923
bonds (distance) P-C4' energy: -89.274
flat angles C4'-P-C4' energy: -109.201
flat angles P-C4'-P energy: -88.328
tors. eta vs tors. theta energy: -118.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1482.897711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.897711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.897711 (E_RNA)
where:
Base-Base interactions energy: -992.163
where: short stacking energy: -430.713
Base-Backbone interact. energy: -4.333
local terms energy: -486.401625
where:
bonds (distance) C4'-P energy: -95.818
bonds (distance) P-C4' energy: -104.141
flat angles C4'-P-C4' energy: -107.972
flat angles P-C4'-P energy: -70.010
tors. eta vs tors. theta energy: -108.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1389.505547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.505547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.505547 (E_RNA)
where:
Base-Base interactions energy: -923.615
where: short stacking energy: -405.514
Base-Backbone interact. energy: -0.763
local terms energy: -465.127542
where:
bonds (distance) C4'-P energy: -91.057
bonds (distance) P-C4' energy: -92.899
flat angles C4'-P-C4' energy: -105.141
flat angles P-C4'-P energy: -71.028
tors. eta vs tors. theta energy: -105.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1348.689048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.689048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.689048 (E_RNA)
where:
Base-Base interactions energy: -899.781
where: short stacking energy: -395.469
Base-Backbone interact. energy: 2.178
local terms energy: -451.085722
where:
bonds (distance) C4'-P energy: -85.451
bonds (distance) P-C4' energy: -97.058
flat angles C4'-P-C4' energy: -107.993
flat angles P-C4'-P energy: -69.710
tors. eta vs tors. theta energy: -90.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -929.741986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.741986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.741986 (E_RNA)
where:
Base-Base interactions energy: -548.423
where: short stacking energy: -277.318
Base-Backbone interact. energy: -2.020
local terms energy: -379.298988
where:
bonds (distance) C4'-P energy: -97.782
bonds (distance) P-C4' energy: -97.585
flat angles C4'-P-C4' energy: -92.732
flat angles P-C4'-P energy: -60.071
tors. eta vs tors. theta energy: -31.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -698.779075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.779075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.779075 (E_RNA)
where:
Base-Base interactions energy: -380.376
where: short stacking energy: -215.196
Base-Backbone interact. energy: -1.610
local terms energy: -316.793124
where:
bonds (distance) C4'-P energy: -81.963
bonds (distance) P-C4' energy: -93.859
flat angles C4'-P-C4' energy: -75.869
flat angles P-C4'-P energy: -42.792
tors. eta vs tors. theta energy: -22.311
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: 477
Temperature: 1.350000
Total energy: -536.735826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.735826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.735826 (E_RNA)
where:
Base-Base interactions energy: -271.077
where: short stacking energy: -157.745
Base-Backbone interact. energy: 1.303
local terms energy: -266.961814
where:
bonds (distance) C4'-P energy: -67.607
bonds (distance) P-C4' energy: -90.340
flat angles C4'-P-C4' energy: -62.325
flat angles P-C4'-P energy: -43.197
tors. eta vs tors. theta energy: -3.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1890.171189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.171189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.171189 (E_RNA)
where:
Base-Base interactions energy: -1268.621
where: short stacking energy: -569.109
Base-Backbone interact. energy: -0.461
local terms energy: -621.088492
where:
bonds (distance) C4'-P energy: -110.210
bonds (distance) P-C4' energy: -109.808
flat angles C4'-P-C4' energy: -138.898
flat angles P-C4'-P energy: -89.747
tors. eta vs tors. theta energy: -172.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1781.032208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.032208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.032208 (E_RNA)
where:
Base-Base interactions energy: -1197.488
where: short stacking energy: -534.311
Base-Backbone interact. energy: -0.184
local terms energy: -583.359899
where:
bonds (distance) C4'-P energy: -111.217
bonds (distance) P-C4' energy: -110.678
flat angles C4'-P-C4' energy: -121.884
flat angles P-C4'-P energy: -71.615
tors. eta vs tors. theta energy: -167.966
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: 3, replica: 7
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1704.876648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.876648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.876648 (E_RNA)
where:
Base-Base interactions energy: -1175.160
where: short stacking energy: -497.222
Base-Backbone interact. energy: -1.331
local terms energy: -528.386207
where:
bonds (distance) C4'-P energy: -85.309
bonds (distance) P-C4' energy: -110.117
flat angles C4'-P-C4' energy: -114.720
flat angles P-C4'-P energy: -80.324
tors. eta vs tors. theta energy: -137.917
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: 478
Temperature: 1.050000
Total energy: -1549.579497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.579497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.579497 (E_RNA)
where:
Base-Base interactions energy: -1058.625
where: short stacking energy: -458.061
Base-Backbone interact. energy: -1.525
local terms energy: -489.429540
where:
bonds (distance) C4'-P energy: -90.948
bonds (distance) P-C4' energy: -90.241
flat angles C4'-P-C4' energy: -105.124
flat angles P-C4'-P energy: -85.746
tors. eta vs tors. theta energy: -117.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1477.727907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.727907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.727907 (E_RNA)
where:
Base-Base interactions energy: -999.219
where: short stacking energy: -433.750
Base-Backbone interact. energy: -0.342
local terms energy: -478.166426
where:
bonds (distance) C4'-P energy: -102.579
bonds (distance) P-C4' energy: -89.464
flat angles C4'-P-C4' energy: -98.559
flat angles P-C4'-P energy: -82.952
tors. eta vs tors. theta energy: -104.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1398.538304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.538304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.538304 (E_RNA)
where:
Base-Base interactions energy: -956.840
where: short stacking energy: -384.613
Base-Backbone interact. energy: -0.320
local terms energy: -441.377885
where:
bonds (distance) C4'-P energy: -102.338
bonds (distance) P-C4' energy: -91.744
flat angles C4'-P-C4' energy: -109.921
flat angles P-C4'-P energy: -36.497
tors. eta vs tors. theta energy: -100.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1312.765609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.765609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.765609 (E_RNA)
where:
Base-Base interactions energy: -871.702
where: short stacking energy: -366.140
Base-Backbone interact. energy: 0.338
local terms energy: -441.400892
where:
bonds (distance) C4'-P energy: -107.268
bonds (distance) P-C4' energy: -81.550
flat angles C4'-P-C4' energy: -100.052
flat angles P-C4'-P energy: -63.165
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: 8, replica: 3
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -900.222629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.222629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.222629 (E_RNA)
where:
Base-Base interactions energy: -550.311
where: short stacking energy: -258.117
Base-Backbone interact. energy: -3.799
local terms energy: -346.111849
where:
bonds (distance) C4'-P energy: -77.854
bonds (distance) P-C4' energy: -90.686
flat angles C4'-P-C4' energy: -81.470
flat angles P-C4'-P energy: -63.375
tors. eta vs tors. theta energy: -32.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -696.897921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.897921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.897921 (E_RNA)
where:
Base-Base interactions energy: -377.514
where: short stacking energy: -180.582
Base-Backbone interact. energy: -2.026
local terms energy: -317.358233
where:
bonds (distance) C4'-P energy: -93.368
bonds (distance) P-C4' energy: -105.672
flat angles C4'-P-C4' energy: -76.294
flat angles P-C4'-P energy: -37.471
tors. eta vs tors. theta energy: -4.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -551.006251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.006251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.006251 (E_RNA)
where:
Base-Base interactions energy: -252.844
where: short stacking energy: -146.178
Base-Backbone interact. energy: 1.787
local terms energy: -299.948820
where:
bonds (distance) C4'-P energy: -80.183
bonds (distance) P-C4' energy: -92.325
flat angles C4'-P-C4' energy: -86.375
flat angles P-C4'-P energy: -39.991
tors. eta vs tors. theta energy: -1.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1848.089956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.089956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.089956 (E_RNA)
where:
Base-Base interactions energy: -1250.858
where: short stacking energy: -560.492
Base-Backbone interact. energy: -3.024
local terms energy: -594.208045
where:
bonds (distance) C4'-P energy: -118.841
bonds (distance) P-C4' energy: -106.493
flat angles C4'-P-C4' energy: -119.623
flat angles P-C4'-P energy: -89.041
tors. eta vs tors. theta energy: -160.210
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: 479
Temperature: 0.950000
Total energy: -1766.472808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.472808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.472808 (E_RNA)
where:
Base-Base interactions energy: -1219.576
where: short stacking energy: -541.353
Base-Backbone interact. energy: 1.180
local terms energy: -548.076604
where:
bonds (distance) C4'-P energy: -102.211
bonds (distance) P-C4' energy: -95.893
flat angles C4'-P-C4' energy: -106.618
flat angles P-C4'-P energy: -88.329
tors. eta vs tors. theta energy: -155.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1703.919052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.919052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.919052 (E_RNA)
where:
Base-Base interactions energy: -1159.445
where: short stacking energy: -486.163
Base-Backbone interact. energy: -2.233
local terms energy: -542.241818
where:
bonds (distance) C4'-P energy: -99.937
bonds (distance) P-C4' energy: -114.158
flat angles C4'-P-C4' energy: -118.941
flat angles P-C4'-P energy: -68.997
tors. eta vs tors. theta energy: -140.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1528.193726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.193726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.193726 (E_RNA)
where:
Base-Base interactions energy: -1019.825
where: short stacking energy: -444.095
Base-Backbone interact. energy: -4.320
local terms energy: -504.048370
where:
bonds (distance) C4'-P energy: -98.319
bonds (distance) P-C4' energy: -102.279
flat angles C4'-P-C4' energy: -110.507
flat angles P-C4'-P energy: -72.818
tors. eta vs tors. theta energy: -120.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1464.813859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.813859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.813859 (E_RNA)
where:
Base-Base interactions energy: -989.521
where: short stacking energy: -419.557
Base-Backbone interact. energy: -0.864
local terms energy: -474.429091
where:
bonds (distance) C4'-P energy: -96.620
bonds (distance) P-C4' energy: -92.648
flat angles C4'-P-C4' energy: -107.445
flat angles P-C4'-P energy: -60.209
tors. eta vs tors. theta energy: -117.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1402.770924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.770924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.770924 (E_RNA)
where:
Base-Base interactions energy: -939.050
where: short stacking energy: -405.552
Base-Backbone interact. energy: -2.248
local terms energy: -461.472814
where:
bonds (distance) C4'-P energy: -101.350
bonds (distance) P-C4' energy: -96.026
flat angles C4'-P-C4' energy: -94.328
flat angles P-C4'-P energy: -71.912
tors. eta vs tors. theta energy: -97.857
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: 9
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1345.327636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.327636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.327636 (E_RNA)
where:
Base-Base interactions energy: -888.372
where: short stacking energy: -400.987
Base-Backbone interact. energy: -2.782
local terms energy: -454.173124
where:
bonds (distance) C4'-P energy: -109.473
bonds (distance) P-C4' energy: -96.795
flat angles C4'-P-C4' energy: -93.751
flat angles P-C4'-P energy: -52.187
tors. eta vs tors. theta energy: -101.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -894.945930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.945930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.945930 (E_RNA)
where:
Base-Base interactions energy: -523.184
where: short stacking energy: -241.390
Base-Backbone interact. energy: 0.583
local terms energy: -372.344167
where:
bonds (distance) C4'-P energy: -82.123
bonds (distance) P-C4' energy: -104.490
flat angles C4'-P-C4' energy: -89.465
flat angles P-C4'-P energy: -69.552
tors. eta vs tors. theta energy: -26.714
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: 479
Temperature: 1.300000
Total energy: -779.792436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.792436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.792436 (E_RNA)
where:
Base-Base interactions energy: -458.390
where: short stacking energy: -231.848
Base-Backbone interact. energy: -1.321
local terms energy: -320.081116
where:
bonds (distance) C4'-P energy: -84.051
bonds (distance) P-C4' energy: -66.481
flat angles C4'-P-C4' energy: -78.864
flat angles P-C4'-P energy: -53.216
tors. eta vs tors. theta energy: -37.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -572.600520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.600520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.600520 (E_RNA)
where:
Base-Base interactions energy: -249.954
where: short stacking energy: -155.413
Base-Backbone interact. energy: 1.787
local terms energy: -324.434364
where:
bonds (distance) C4'-P energy: -92.042
bonds (distance) P-C4' energy: -85.777
flat angles C4'-P-C4' energy: -77.813
flat angles P-C4'-P energy: -62.809
tors. eta vs tors. theta energy: -5.993
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: 480
Temperature: 0.900000
Total energy: -1868.623054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.623054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.623054 (E_RNA)
where:
Base-Base interactions energy: -1284.556
where: short stacking energy: -566.817
Base-Backbone interact. energy: 1.287
local terms energy: -585.353876
where:
bonds (distance) C4'-P energy: -103.627
bonds (distance) P-C4' energy: -107.135
flat angles C4'-P-C4' energy: -123.611
flat angles P-C4'-P energy: -81.262
tors. eta vs tors. theta energy: -169.719
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: 5
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1768.794299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.794299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.794299 (E_RNA)
where:
Base-Base interactions energy: -1211.487
where: short stacking energy: -544.392
Base-Backbone interact. energy: -1.996
local terms energy: -555.311025
where:
bonds (distance) C4'-P energy: -104.278
bonds (distance) P-C4' energy: -99.698
flat angles C4'-P-C4' energy: -109.823
flat angles P-C4'-P energy: -84.565
tors. eta vs tors. theta energy: -156.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1686.506369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.506369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.506369 (E_RNA)
where:
Base-Base interactions energy: -1150.609
where: short stacking energy: -496.949
Base-Backbone interact. energy: -2.395
local terms energy: -533.501809
where:
bonds (distance) C4'-P energy: -106.506
bonds (distance) P-C4' energy: -95.401
flat angles C4'-P-C4' energy: -120.406
flat angles P-C4'-P energy: -72.295
tors. eta vs tors. theta energy: -138.893
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: 4, replica: 6
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1553.073943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.073943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.073943 (E_RNA)
where:
Base-Base interactions energy: -1017.258
where: short stacking energy: -452.448
Base-Backbone interact. energy: -2.819
local terms energy: -532.996261
where:
bonds (distance) C4'-P energy: -95.789
bonds (distance) P-C4' energy: -101.111
flat angles C4'-P-C4' energy: -116.130
flat angles P-C4'-P energy: -83.668
tors. eta vs tors. theta energy: -136.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1479.620129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.620129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.620129 (E_RNA)
where:
Base-Base interactions energy: -997.041
where: short stacking energy: -432.988
Base-Backbone interact. energy: 0.210
local terms energy: -482.789278
where:
bonds (distance) C4'-P energy: -80.020
bonds (distance) P-C4' energy: -102.667
flat angles C4'-P-C4' energy: -117.190
flat angles P-C4'-P energy: -69.428
tors. eta vs tors. theta energy: -113.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1429.455293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.455293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.455293 (E_RNA)
where:
Base-Base interactions energy: -952.477
where: short stacking energy: -416.899
Base-Backbone interact. energy: -1.778
local terms energy: -475.199523
where:
bonds (distance) C4'-P energy: -91.452
bonds (distance) P-C4' energy: -103.367
flat angles C4'-P-C4' energy: -103.060
flat angles P-C4'-P energy: -62.373
tors. eta vs tors. theta energy: -114.947
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: 7, replica: 9
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1294.424645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.424645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.424645 (E_RNA)
where:
Base-Base interactions energy: -858.995
where: short stacking energy: -336.166
Base-Backbone interact. energy: 0.857
local terms energy: -436.286263
where:
bonds (distance) C4'-P energy: -92.163
bonds (distance) P-C4' energy: -100.554
flat angles C4'-P-C4' energy: -94.440
flat angles P-C4'-P energy: -64.792
tors. eta vs tors. theta energy: -84.338
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: 3
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -902.993772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.993772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.993772 (E_RNA)
where:
Base-Base interactions energy: -521.097
where: short stacking energy: -242.965
Base-Backbone interact. energy: -2.150
local terms energy: -379.747107
where:
bonds (distance) C4'-P energy: -90.788
bonds (distance) P-C4' energy: -91.354
flat angles C4'-P-C4' energy: -98.486
flat angles P-C4'-P energy: -50.767
tors. eta vs tors. theta energy: -48.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -728.579275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.579275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.579275 (E_RNA)
where:
Base-Base interactions energy: -371.552
where: short stacking energy: -182.938
Base-Backbone interact. energy: -0.591
local terms energy: -356.435505
where:
bonds (distance) C4'-P energy: -82.130
bonds (distance) P-C4' energy: -108.871
flat angles C4'-P-C4' energy: -94.034
flat angles P-C4'-P energy: -58.312
tors. eta vs tors. theta energy: -13.088
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: 480
Temperature: 1.350000
Total energy: -504.649194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.649194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.649194 (E_RNA)
where:
Base-Base interactions energy: -206.539
where: short stacking energy: -144.726
Base-Backbone interact. energy: -0.426
local terms energy: -297.684107
where:
bonds (distance) C4'-P energy: -89.861
bonds (distance) P-C4' energy: -104.268
flat angles C4'-P-C4' energy: -66.345
flat angles P-C4'-P energy: -44.805
tors. eta vs tors. theta energy: 7.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1885.205822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.205822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.205822 (E_RNA)
where:
Base-Base interactions energy: -1280.077
where: short stacking energy: -568.258
Base-Backbone interact. energy: -2.268
local terms energy: -602.861342
where:
bonds (distance) C4'-P energy: -102.632
bonds (distance) P-C4' energy: -115.489
flat angles C4'-P-C4' energy: -128.508
flat angles P-C4'-P energy: -84.864
tors. eta vs tors. theta energy: -171.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1785.473212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.473212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.473212 (E_RNA)
where:
Base-Base interactions energy: -1211.428
where: short stacking energy: -528.247
Base-Backbone interact. energy: -1.613
local terms energy: -572.432456
where:
bonds (distance) C4'-P energy: -110.607
bonds (distance) P-C4' energy: -106.588
flat angles C4'-P-C4' energy: -110.553
flat angles P-C4'-P energy: -81.285
tors. eta vs tors. theta energy: -163.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1718.670792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.670792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.670792 (E_RNA)
where:
Base-Base interactions energy: -1204.082
where: short stacking energy: -507.153
Base-Backbone interact. energy: -1.197
local terms energy: -513.391468
where:
bonds (distance) C4'-P energy: -95.460
bonds (distance) P-C4' energy: -102.144
flat angles C4'-P-C4' energy: -117.303
flat angles P-C4'-P energy: -67.277
tors. eta vs tors. theta energy: -131.208
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: 4, replica: 6
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1567.846223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.846223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.846223 (E_RNA)
where:
Base-Base interactions energy: -1037.783
where: short stacking energy: -451.269
Base-Backbone interact. energy: -2.966
local terms energy: -527.097337
where:
bonds (distance) C4'-P energy: -108.978
bonds (distance) P-C4' energy: -107.141
flat angles C4'-P-C4' energy: -114.717
flat angles P-C4'-P energy: -70.538
tors. eta vs tors. theta energy: -125.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1453.977999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.977999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.977999 (E_RNA)
where:
Base-Base interactions energy: -992.327
where: short stacking energy: -427.397
Base-Backbone interact. energy: -1.947
local terms energy: -459.703850
where:
bonds (distance) C4'-P energy: -82.068
bonds (distance) P-C4' energy: -87.213
flat angles C4'-P-C4' energy: -112.450
flat angles P-C4'-P energy: -73.173
tors. eta vs tors. theta energy: -104.800
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: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1360.513143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.513143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.513143 (E_RNA)
where:
Base-Base interactions energy: -905.802
where: short stacking energy: -402.364
Base-Backbone interact. energy: -3.483
local terms energy: -451.228442
where:
bonds (distance) C4'-P energy: -86.652
bonds (distance) P-C4' energy: -82.312
flat angles C4'-P-C4' energy: -97.744
flat angles P-C4'-P energy: -71.733
tors. eta vs tors. theta energy: -112.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1320.730458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.730458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.730458 (E_RNA)
where:
Base-Base interactions energy: -890.341
where: short stacking energy: -384.446
Base-Backbone interact. energy: -1.799
local terms energy: -428.591035
where:
bonds (distance) C4'-P energy: -80.055
bonds (distance) P-C4' energy: -101.506
flat angles C4'-P-C4' energy: -108.213
flat angles P-C4'-P energy: -55.561
tors. eta vs tors. theta energy: -83.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -936.832007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.832007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.832007 (E_RNA)
where:
Base-Base interactions energy: -557.154
where: short stacking energy: -274.175
Base-Backbone interact. energy: -1.303
local terms energy: -378.375801
where:
bonds (distance) C4'-P energy: -74.344
bonds (distance) P-C4' energy: -109.748
flat angles C4'-P-C4' energy: -86.147
flat angles P-C4'-P energy: -67.828
tors. eta vs tors. theta energy: -40.308
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: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -776.331700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.331700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.331700 (E_RNA)
where:
Base-Base interactions energy: -433.292
where: short stacking energy: -213.633
Base-Backbone interact. energy: -2.382
local terms energy: -340.658162
where:
bonds (distance) C4'-P energy: -80.316
bonds (distance) P-C4' energy: -88.824
flat angles C4'-P-C4' energy: -75.487
flat angles P-C4'-P energy: -54.347
tors. eta vs tors. theta energy: -41.683
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: 481
Temperature: 1.350000
Total energy: -494.501599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.501599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.501599 (E_RNA)
where:
Base-Base interactions energy: -246.673
where: short stacking energy: -140.978
Base-Backbone interact. energy: 7.443
local terms energy: -255.271910
where:
bonds (distance) C4'-P energy: -89.439
bonds (distance) P-C4' energy: -88.746
flat angles C4'-P-C4' energy: -59.349
flat angles P-C4'-P energy: -23.984
tors. eta vs tors. theta energy: 6.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1883.123525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.123525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.123525 (E_RNA)
where:
Base-Base interactions energy: -1289.358
where: short stacking energy: -564.379
Base-Backbone interact. energy: -3.213
local terms energy: -590.552228
where:
bonds (distance) C4'-P energy: -111.562
bonds (distance) P-C4' energy: -111.017
flat angles C4'-P-C4' energy: -126.575
flat angles P-C4'-P energy: -74.228
tors. eta vs tors. theta energy: -167.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1788.792526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.792526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.792526 (E_RNA)
where:
Base-Base interactions energy: -1219.381
where: short stacking energy: -558.201
Base-Backbone interact. energy: 0.027
local terms energy: -569.438805
where:
bonds (distance) C4'-P energy: -104.609
bonds (distance) P-C4' energy: -108.601
flat angles C4'-P-C4' energy: -114.859
flat angles P-C4'-P energy: -77.626
tors. eta vs tors. theta energy: -163.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1702.035554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.035554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.035554 (E_RNA)
where:
Base-Base interactions energy: -1171.122
where: short stacking energy: -489.450
Base-Backbone interact. energy: -2.209
local terms energy: -528.704597
where:
bonds (distance) C4'-P energy: -103.252
bonds (distance) P-C4' energy: -107.137
flat angles C4'-P-C4' energy: -113.967
flat angles P-C4'-P energy: -67.286
tors. eta vs tors. theta energy: -137.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1554.792431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.792431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.792431 (E_RNA)
where:
Base-Base interactions energy: -1039.319
where: short stacking energy: -437.784
Base-Backbone interact. energy: -2.877
local terms energy: -512.596486
where:
bonds (distance) C4'-P energy: -96.297
bonds (distance) P-C4' energy: -121.477
flat angles C4'-P-C4' energy: -106.430
flat angles P-C4'-P energy: -71.349
tors. eta vs tors. theta energy: -117.043
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: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1439.368066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.368066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.368066 (E_RNA)
where:
Base-Base interactions energy: -964.593
where: short stacking energy: -429.238
Base-Backbone interact. energy: -1.154
local terms energy: -473.621176
where:
bonds (distance) C4'-P energy: -112.235
bonds (distance) P-C4' energy: -91.258
flat angles C4'-P-C4' energy: -119.348
flat angles P-C4'-P energy: -46.716
tors. eta vs tors. theta energy: -104.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1429.255801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.255801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.255801 (E_RNA)
where:
Base-Base interactions energy: -954.360
where: short stacking energy: -429.011
Base-Backbone interact. energy: -2.009
local terms energy: -472.887392
where:
bonds (distance) C4'-P energy: -90.367
bonds (distance) P-C4' energy: -101.144
flat angles C4'-P-C4' energy: -112.158
flat angles P-C4'-P energy: -61.459
tors. eta vs tors. theta energy: -107.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1327.454564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.454564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.454564 (E_RNA)
where:
Base-Base interactions energy: -892.394
where: short stacking energy: -375.453
Base-Backbone interact. energy: 0.476
local terms energy: -435.536673
where:
bonds (distance) C4'-P energy: -104.449
bonds (distance) P-C4' energy: -80.221
flat angles C4'-P-C4' energy: -111.746
flat angles P-C4'-P energy: -60.734
tors. eta vs tors. theta energy: -78.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -949.644635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.644635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.644635 (E_RNA)
where:
Base-Base interactions energy: -578.884
where: short stacking energy: -281.732
Base-Backbone interact. energy: -1.799
local terms energy: -368.961531
where:
bonds (distance) C4'-P energy: -73.715
bonds (distance) P-C4' energy: -96.868
flat angles C4'-P-C4' energy: -93.115
flat angles P-C4'-P energy: -64.611
tors. eta vs tors. theta energy: -40.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -797.791959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.791959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.791959 (E_RNA)
where:
Base-Base interactions energy: -458.397
where: short stacking energy: -228.232
Base-Backbone interact. energy: -2.075
local terms energy: -337.320044
where:
bonds (distance) C4'-P energy: -85.480
bonds (distance) P-C4' energy: -81.182
flat angles C4'-P-C4' energy: -96.128
flat angles P-C4'-P energy: -46.201
tors. eta vs tors. theta energy: -28.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -500.660940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.660940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.660940 (E_RNA)
where:
Base-Base interactions energy: -214.861
where: short stacking energy: -149.043
Base-Backbone interact. energy: 4.323
local terms energy: -290.123168
where:
bonds (distance) C4'-P energy: -100.050
bonds (distance) P-C4' energy: -83.540
flat angles C4'-P-C4' energy: -64.203
flat angles P-C4'-P energy: -47.232
tors. eta vs tors. theta energy: 4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1882.938025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.938025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.938025 (E_RNA)
where:
Base-Base interactions energy: -1264.970
where: short stacking energy: -565.966
Base-Backbone interact. energy: -3.989
local terms energy: -613.978728
where:
bonds (distance) C4'-P energy: -112.412
bonds (distance) P-C4' energy: -121.505
flat angles C4'-P-C4' energy: -120.935
flat angles P-C4'-P energy: -84.990
tors. eta vs tors. theta energy: -174.136
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: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1750.282938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.282938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.282938 (E_RNA)
where:
Base-Base interactions energy: -1193.311
where: short stacking energy: -551.458
Base-Backbone interact. energy: 2.996
local terms energy: -559.967548
where:
bonds (distance) C4'-P energy: -106.836
bonds (distance) P-C4' energy: -112.216
flat angles C4'-P-C4' energy: -123.125
flat angles P-C4'-P energy: -63.857
tors. eta vs tors. theta energy: -153.934
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: 7
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1673.753457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.753457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.753457 (E_RNA)
where:
Base-Base interactions energy: -1139.654
where: short stacking energy: -479.966
Base-Backbone interact. energy: -3.155
local terms energy: -530.944621
where:
bonds (distance) C4'-P energy: -102.848
bonds (distance) P-C4' energy: -106.688
flat angles C4'-P-C4' energy: -106.100
flat angles P-C4'-P energy: -74.647
tors. eta vs tors. theta energy: -140.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1531.296882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.296882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.296882 (E_RNA)
where:
Base-Base interactions energy: -1006.568
where: short stacking energy: -415.685
Base-Backbone interact. energy: 1.356
local terms energy: -526.085404
where:
bonds (distance) C4'-P energy: -102.108
bonds (distance) P-C4' energy: -104.004
flat angles C4'-P-C4' energy: -115.918
flat angles P-C4'-P energy: -82.864
tors. eta vs tors. theta energy: -121.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1427.078234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.078234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.078234 (E_RNA)
where:
Base-Base interactions energy: -953.727
where: short stacking energy: -405.455
Base-Backbone interact. energy: 2.589
local terms energy: -475.940619
where:
bonds (distance) C4'-P energy: -91.346
bonds (distance) P-C4' energy: -117.413
flat angles C4'-P-C4' energy: -93.554
flat angles P-C4'-P energy: -77.110
tors. eta vs tors. theta energy: -96.517
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: 483
Temperature: 1.150000
Total energy: -1391.440127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.440127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.440127 (E_RNA)
where:
Base-Base interactions energy: -954.947
where: short stacking energy: -405.032
Base-Backbone interact. energy: -0.410
local terms energy: -436.083412
where:
bonds (distance) C4'-P energy: -80.526
bonds (distance) P-C4' energy: -96.935
flat angles C4'-P-C4' energy: -117.109
flat angles P-C4'-P energy: -51.558
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: 7, replica: 4
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1353.166746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.166746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.166746 (E_RNA)
where:
Base-Base interactions energy: -925.569
where: short stacking energy: -397.138
Base-Backbone interact. energy: 0.017
local terms energy: -427.614214
where:
bonds (distance) C4'-P energy: -91.704
bonds (distance) P-C4' energy: -94.826
flat angles C4'-P-C4' energy: -84.484
flat angles P-C4'-P energy: -65.802
tors. eta vs tors. theta energy: -90.798
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: 3
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -911.825712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.825712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.825712 (E_RNA)
where:
Base-Base interactions energy: -563.709
where: short stacking energy: -264.801
Base-Backbone interact. energy: 2.032
local terms energy: -350.149140
where:
bonds (distance) C4'-P energy: -91.579
bonds (distance) P-C4' energy: -86.787
flat angles C4'-P-C4' energy: -76.800
flat angles P-C4'-P energy: -60.674
tors. eta vs tors. theta energy: -34.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -793.552011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.552011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.552011 (E_RNA)
where:
Base-Base interactions energy: -470.167
where: short stacking energy: -232.637
Base-Backbone interact. energy: 3.431
local terms energy: -326.815928
where:
bonds (distance) C4'-P energy: -96.650
bonds (distance) P-C4' energy: -78.877
flat angles C4'-P-C4' energy: -72.276
flat angles P-C4'-P energy: -41.530
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: 483
Temperature: 1.350000
Total energy: -531.065981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.065981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.065981 (E_RNA)
where:
Base-Base interactions energy: -220.637
where: short stacking energy: -144.254
Base-Backbone interact. energy: 0.353
local terms energy: -310.781853
where:
bonds (distance) C4'-P energy: -90.761
bonds (distance) P-C4' energy: -83.910
flat angles C4'-P-C4' energy: -93.406
flat angles P-C4'-P energy: -43.607
tors. eta vs tors. theta energy: 0.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1882.260014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.260014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.260014 (E_RNA)
where:
Base-Base interactions energy: -1287.783
where: short stacking energy: -540.630
Base-Backbone interact. energy: -2.055
local terms energy: -592.422317
where:
bonds (distance) C4'-P energy: -110.172
bonds (distance) P-C4' energy: -108.776
flat angles C4'-P-C4' energy: -122.101
flat angles P-C4'-P energy: -93.324
tors. eta vs tors. theta energy: -158.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1772.484632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.484632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.484632 (E_RNA)
where:
Base-Base interactions energy: -1208.901
where: short stacking energy: -535.073
Base-Backbone interact. energy: -1.273
local terms energy: -562.311048
where:
bonds (distance) C4'-P energy: -97.498
bonds (distance) P-C4' energy: -108.969
flat angles C4'-P-C4' energy: -120.379
flat angles P-C4'-P energy: -75.982
tors. eta vs tors. theta energy: -159.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1691.379544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.379544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.379544 (E_RNA)
where:
Base-Base interactions energy: -1146.748
where: short stacking energy: -490.876
Base-Backbone interact. energy: -4.233
local terms energy: -540.398337
where:
bonds (distance) C4'-P energy: -114.998
bonds (distance) P-C4' energy: -110.798
flat angles C4'-P-C4' energy: -111.534
flat angles P-C4'-P energy: -68.034
tors. eta vs tors. theta energy: -135.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1554.650542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.650542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.650542 (E_RNA)
where:
Base-Base interactions energy: -1073.532
where: short stacking energy: -466.253
Base-Backbone interact. energy: 1.272
local terms energy: -482.390105
where:
bonds (distance) C4'-P energy: -85.554
bonds (distance) P-C4' energy: -84.070
flat angles C4'-P-C4' energy: -115.194
flat angles P-C4'-P energy: -75.191
tors. eta vs tors. theta energy: -122.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1426.353141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.353141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.353141 (E_RNA)
where:
Base-Base interactions energy: -954.528
where: short stacking energy: -407.934
Base-Backbone interact. energy: 0.350
local terms energy: -472.175544
where:
bonds (distance) C4'-P energy: -90.085
bonds (distance) P-C4' energy: -99.470
flat angles C4'-P-C4' energy: -107.487
flat angles P-C4'-P energy: -64.968
tors. eta vs tors. theta energy: -110.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1375.364744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.364744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.364744 (E_RNA)
where:
Base-Base interactions energy: -889.572
where: short stacking energy: -364.780
Base-Backbone interact. energy: -1.284
local terms energy: -484.508325
where:
bonds (distance) C4'-P energy: -95.971
bonds (distance) P-C4' energy: -83.540
flat angles C4'-P-C4' energy: -112.839
flat angles P-C4'-P energy: -86.821
tors. eta vs tors. theta energy: -105.337
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: 4
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1343.252344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.252344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.252344 (E_RNA)
where:
Base-Base interactions energy: -909.433
where: short stacking energy: -367.092
Base-Backbone interact. energy: -0.082
local terms energy: -433.737070
where:
bonds (distance) C4'-P energy: -100.771
bonds (distance) P-C4' energy: -89.277
flat angles C4'-P-C4' energy: -99.868
flat angles P-C4'-P energy: -52.301
tors. eta vs tors. theta energy: -91.520
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: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -904.720399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.720399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.720399 (E_RNA)
where:
Base-Base interactions energy: -542.164
where: short stacking energy: -255.046
Base-Backbone interact. energy: -3.447
local terms energy: -359.109910
where:
bonds (distance) C4'-P energy: -74.483
bonds (distance) P-C4' energy: -101.121
flat angles C4'-P-C4' energy: -86.755
flat angles P-C4'-P energy: -54.939
tors. eta vs tors. theta energy: -41.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -766.500548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.500548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.500548 (E_RNA)
where:
Base-Base interactions energy: -455.338
where: short stacking energy: -223.235
Base-Backbone interact. energy: 0.347
local terms energy: -311.509959
where:
bonds (distance) C4'-P energy: -80.826
bonds (distance) P-C4' energy: -89.013
flat angles C4'-P-C4' energy: -77.824
flat angles P-C4'-P energy: -47.317
tors. eta vs tors. theta energy: -16.529
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: 484
Temperature: 1.350000
Total energy: -501.363487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.363487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.363487 (E_RNA)
where:
Base-Base interactions energy: -224.067
where: short stacking energy: -139.384
Base-Backbone interact. energy: 2.374
local terms energy: -279.670702
where:
bonds (distance) C4'-P energy: -83.685
bonds (distance) P-C4' energy: -83.650
flat angles C4'-P-C4' energy: -75.679
flat angles P-C4'-P energy: -26.189
tors. eta vs tors. theta energy: -10.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1891.327111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.327111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.327111 (E_RNA)
where:
Base-Base interactions energy: -1283.032
where: short stacking energy: -553.258
Base-Backbone interact. energy: -4.122
local terms energy: -604.173530
where:
bonds (distance) C4'-P energy: -112.882
bonds (distance) P-C4' energy: -113.307
flat angles C4'-P-C4' energy: -116.405
flat angles P-C4'-P energy: -88.936
tors. eta vs tors. theta energy: -172.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1786.992633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.992633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.992633 (E_RNA)
where:
Base-Base interactions energy: -1206.650
where: short stacking energy: -554.545
Base-Backbone interact. energy: -0.601
local terms energy: -579.741290
where:
bonds (distance) C4'-P energy: -99.713
bonds (distance) P-C4' energy: -107.514
flat angles C4'-P-C4' energy: -128.895
flat angles P-C4'-P energy: -83.693
tors. eta vs tors. theta energy: -159.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1701.201563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.201563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.201563 (E_RNA)
where:
Base-Base interactions energy: -1168.965
where: short stacking energy: -487.580
Base-Backbone interact. energy: -1.145
local terms energy: -531.091681
where:
bonds (distance) C4'-P energy: -99.809
bonds (distance) P-C4' energy: -103.520
flat angles C4'-P-C4' energy: -114.846
flat angles P-C4'-P energy: -69.638
tors. eta vs tors. theta energy: -143.279
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: 6
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1521.905822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.905822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.905822 (E_RNA)
where:
Base-Base interactions energy: -1043.034
where: short stacking energy: -447.052
Base-Backbone interact. energy: 1.200
local terms energy: -480.071869
where:
bonds (distance) C4'-P energy: -85.561
bonds (distance) P-C4' energy: -96.909
flat angles C4'-P-C4' energy: -107.891
flat angles P-C4'-P energy: -76.377
tors. eta vs tors. theta energy: -113.334
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: 5, replica: 1
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1427.971837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.971837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.971837 (E_RNA)
where:
Base-Base interactions energy: -953.562
where: short stacking energy: -417.294
Base-Backbone interact. energy: -1.365
local terms energy: -473.044267
where:
bonds (distance) C4'-P energy: -102.848
bonds (distance) P-C4' energy: -101.074
flat angles C4'-P-C4' energy: -104.023
flat angles P-C4'-P energy: -55.997
tors. eta vs tors. theta energy: -109.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1389.966894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.966894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.966894 (E_RNA)
where:
Base-Base interactions energy: -917.850
where: short stacking energy: -407.189
Base-Backbone interact. energy: -2.387
local terms energy: -469.730140
where:
bonds (distance) C4'-P energy: -99.740
bonds (distance) P-C4' energy: -96.102
flat angles C4'-P-C4' energy: -103.315
flat angles P-C4'-P energy: -66.435
tors. eta vs tors. theta energy: -104.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1316.318169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.318169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.318169 (E_RNA)
where:
Base-Base interactions energy: -870.789
where: short stacking energy: -371.968
Base-Backbone interact. energy: -4.116
local terms energy: -441.413572
where:
bonds (distance) C4'-P energy: -76.629
bonds (distance) P-C4' energy: -99.391
flat angles C4'-P-C4' energy: -96.089
flat angles P-C4'-P energy: -74.789
tors. eta vs tors. theta energy: -94.516
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: 8
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -820.872006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.872006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.872006 (E_RNA)
where:
Base-Base interactions energy: -463.349
where: short stacking energy: -224.208
Base-Backbone interact. energy: -2.064
local terms energy: -355.459469
where:
bonds (distance) C4'-P energy: -67.192
bonds (distance) P-C4' energy: -107.331
flat angles C4'-P-C4' energy: -96.061
flat angles P-C4'-P energy: -55.525
tors. eta vs tors. theta energy: -29.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -855.689215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.689215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.689215 (E_RNA)
where:
Base-Base interactions energy: -501.871
where: short stacking energy: -232.043
Base-Backbone interact. energy: 0.662
local terms energy: -354.479913
where:
bonds (distance) C4'-P energy: -93.904
bonds (distance) P-C4' energy: -99.132
flat angles C4'-P-C4' energy: -88.924
flat angles P-C4'-P energy: -52.537
tors. eta vs tors. theta energy: -19.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -538.647120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.647120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.647120 (E_RNA)
where:
Base-Base interactions energy: -232.810
where: short stacking energy: -156.514
Base-Backbone interact. energy: 6.112
local terms energy: -311.948264
where:
bonds (distance) C4'-P energy: -85.188
bonds (distance) P-C4' energy: -106.145
flat angles C4'-P-C4' energy: -69.398
flat angles P-C4'-P energy: -43.446
tors. eta vs tors. theta energy: -7.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1878.116186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.116186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.116186 (E_RNA)
where:
Base-Base interactions energy: -1274.994
where: short stacking energy: -555.335
Base-Backbone interact. energy: -4.269
local terms energy: -598.853792
where:
bonds (distance) C4'-P energy: -115.440
bonds (distance) P-C4' energy: -99.289
flat angles C4'-P-C4' energy: -124.674
flat angles P-C4'-P energy: -92.365
tors. eta vs tors. theta energy: -167.086
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: 2, replica: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1764.432860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.432860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.432860 (E_RNA)
where:
Base-Base interactions energy: -1183.863
where: short stacking energy: -541.317
Base-Backbone interact. energy: -1.304
local terms energy: -579.266148
where:
bonds (distance) C4'-P energy: -107.305
bonds (distance) P-C4' energy: -108.953
flat angles C4'-P-C4' energy: -128.984
flat angles P-C4'-P energy: -78.185
tors. eta vs tors. theta energy: -155.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1654.169911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.169911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.169911 (E_RNA)
where:
Base-Base interactions energy: -1174.026
where: short stacking energy: -458.075
Base-Backbone interact. energy: -0.381
local terms energy: -479.762187
where:
bonds (distance) C4'-P energy: -96.544
bonds (distance) P-C4' energy: -97.794
flat angles C4'-P-C4' energy: -103.625
flat angles P-C4'-P energy: -70.409
tors. eta vs tors. theta energy: -111.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1539.217062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.217062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.217062 (E_RNA)
where:
Base-Base interactions energy: -1025.639
where: short stacking energy: -430.672
Base-Backbone interact. energy: -1.188
local terms energy: -512.389510
where:
bonds (distance) C4'-P energy: -100.589
bonds (distance) P-C4' energy: -105.712
flat angles C4'-P-C4' energy: -112.916
flat angles P-C4'-P energy: -74.281
tors. eta vs tors. theta energy: -118.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1451.576765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.576765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.576765 (E_RNA)
where:
Base-Base interactions energy: -981.595
where: short stacking energy: -413.418
Base-Backbone interact. energy: -2.233
local terms energy: -467.748515
where:
bonds (distance) C4'-P energy: -87.191
bonds (distance) P-C4' energy: -100.938
flat angles C4'-P-C4' energy: -104.746
flat angles P-C4'-P energy: -58.476
tors. eta vs tors. theta energy: -116.397
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: 6, replica: 4
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1421.724141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.724141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.724141 (E_RNA)
where:
Base-Base interactions energy: -941.475
where: short stacking energy: -409.412
Base-Backbone interact. energy: -1.171
local terms energy: -479.078910
where:
bonds (distance) C4'-P energy: -93.077
bonds (distance) P-C4' energy: -106.020
flat angles C4'-P-C4' energy: -104.866
flat angles P-C4'-P energy: -63.924
tors. eta vs tors. theta energy: -111.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1340.077355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.077355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.077355 (E_RNA)
where:
Base-Base interactions energy: -891.968
where: short stacking energy: -369.698
Base-Backbone interact. energy: -1.896
local terms energy: -446.213766
where:
bonds (distance) C4'-P energy: -88.021
bonds (distance) P-C4' energy: -99.263
flat angles C4'-P-C4' energy: -98.572
flat angles P-C4'-P energy: -70.886
tors. eta vs tors. theta energy: -89.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -838.842171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.842171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.842171 (E_RNA)
where:
Base-Base interactions energy: -476.080
where: short stacking energy: -249.298
Base-Backbone interact. energy: 1.739
local terms energy: -364.501334
where:
bonds (distance) C4'-P energy: -75.368
bonds (distance) P-C4' energy: -93.980
flat angles C4'-P-C4' energy: -88.589
flat angles P-C4'-P energy: -51.463
tors. eta vs tors. theta energy: -55.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -835.518338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.518338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.518338 (E_RNA)
where:
Base-Base interactions energy: -486.223
where: short stacking energy: -229.334
Base-Backbone interact. energy: -1.839
local terms energy: -347.456819
where:
bonds (distance) C4'-P energy: -86.069
bonds (distance) P-C4' energy: -88.340
flat angles C4'-P-C4' energy: -86.018
flat angles P-C4'-P energy: -54.694
tors. eta vs tors. theta energy: -32.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -541.210994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.210994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.210994 (E_RNA)
where:
Base-Base interactions energy: -257.517
where: short stacking energy: -156.733
Base-Backbone interact. energy: 1.789
local terms energy: -285.482632
where:
bonds (distance) C4'-P energy: -98.336
bonds (distance) P-C4' energy: -73.161
flat angles C4'-P-C4' energy: -77.282
flat angles P-C4'-P energy: -34.381
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: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1886.849691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.849691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.849691 (E_RNA)
where:
Base-Base interactions energy: -1313.623
where: short stacking energy: -572.410
Base-Backbone interact. energy: -1.847
local terms energy: -571.379587
where:
bonds (distance) C4'-P energy: -94.101
bonds (distance) P-C4' energy: -103.957
flat angles C4'-P-C4' energy: -122.717
flat angles P-C4'-P energy: -81.300
tors. eta vs tors. theta energy: -169.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1765.136952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.136952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.136952 (E_RNA)
where:
Base-Base interactions energy: -1197.694
where: short stacking energy: -531.325
Base-Backbone interact. energy: -0.391
local terms energy: -567.052302
where:
bonds (distance) C4'-P energy: -103.431
bonds (distance) P-C4' energy: -96.564
flat angles C4'-P-C4' energy: -127.395
flat angles P-C4'-P energy: -83.563
tors. eta vs tors. theta energy: -156.100
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: 7
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1670.850065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.850065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.850065 (E_RNA)
where:
Base-Base interactions energy: -1121.413
where: short stacking energy: -475.369
Base-Backbone interact. energy: 0.984
local terms energy: -550.421262
where:
bonds (distance) C4'-P energy: -118.726
bonds (distance) P-C4' energy: -102.811
flat angles C4'-P-C4' energy: -120.646
flat angles P-C4'-P energy: -78.148
tors. eta vs tors. theta energy: -130.091
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: 1
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1517.342718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.342718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.342718 (E_RNA)
where:
Base-Base interactions energy: -1011.460
where: short stacking energy: -445.097
Base-Backbone interact. energy: -2.984
local terms energy: -502.898563
where:
bonds (distance) C4'-P energy: -110.490
bonds (distance) P-C4' energy: -90.705
flat angles C4'-P-C4' energy: -114.386
flat angles P-C4'-P energy: -70.791
tors. eta vs tors. theta energy: -116.527
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: 6
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1492.738433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.738433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.738433 (E_RNA)
where:
Base-Base interactions energy: -1016.047
where: short stacking energy: -430.406
Base-Backbone interact. energy: 1.357
local terms energy: -478.048721
where:
bonds (distance) C4'-P energy: -94.157
bonds (distance) P-C4' energy: -85.518
flat angles C4'-P-C4' energy: -110.849
flat angles P-C4'-P energy: -75.364
tors. eta vs tors. theta energy: -112.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1375.831493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.831493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.831493 (E_RNA)
where:
Base-Base interactions energy: -926.896
where: short stacking energy: -399.022
Base-Backbone interact. energy: 3.844
local terms energy: -452.779876
where:
bonds (distance) C4'-P energy: -86.499
bonds (distance) P-C4' energy: -85.481
flat angles C4'-P-C4' energy: -106.252
flat angles P-C4'-P energy: -69.642
tors. eta vs tors. theta energy: -104.906
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: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1308.268263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.268263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.268263 (E_RNA)
where:
Base-Base interactions energy: -907.689
where: short stacking energy: -382.119
Base-Backbone interact. energy: -2.190
local terms energy: -398.388624
where:
bonds (distance) C4'-P energy: -96.484
bonds (distance) P-C4' energy: -79.851
flat angles C4'-P-C4' energy: -78.237
flat angles P-C4'-P energy: -48.977
tors. eta vs tors. theta energy: -94.840
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: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -976.992089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.992089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.992089 (E_RNA)
where:
Base-Base interactions energy: -611.488
where: short stacking energy: -280.997
Base-Backbone interact. energy: 5.185
local terms energy: -370.689842
where:
bonds (distance) C4'-P energy: -85.231
bonds (distance) P-C4' energy: -78.952
flat angles C4'-P-C4' energy: -104.673
flat angles P-C4'-P energy: -59.083
tors. eta vs tors. theta energy: -42.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -725.531031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.531031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.531031 (E_RNA)
where:
Base-Base interactions energy: -396.824
where: short stacking energy: -219.035
Base-Backbone interact. energy: -0.421
local terms energy: -328.285755
where:
bonds (distance) C4'-P energy: -85.990
bonds (distance) P-C4' energy: -114.935
flat angles C4'-P-C4' energy: -63.162
flat angles P-C4'-P energy: -49.267
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: 487
Temperature: 1.350000
Total energy: -504.123002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.123002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.123002 (E_RNA)
where:
Base-Base interactions energy: -216.797
where: short stacking energy: -150.481
Base-Backbone interact. energy: -0.445
local terms energy: -286.880769
where:
bonds (distance) C4'-P energy: -79.345
bonds (distance) P-C4' energy: -94.164
flat angles C4'-P-C4' energy: -63.201
flat angles P-C4'-P energy: -52.040
tors. eta vs tors. theta energy: 1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1880.074560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.074560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.074560 (E_RNA)
where:
Base-Base interactions energy: -1284.655
where: short stacking energy: -564.914
Base-Backbone interact. energy: -2.494
local terms energy: -592.925295
where:
bonds (distance) C4'-P energy: -111.525
bonds (distance) P-C4' energy: -109.541
flat angles C4'-P-C4' energy: -125.034
flat angles P-C4'-P energy: -82.147
tors. eta vs tors. theta energy: -164.679
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: 5
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1772.016548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.016548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.016548 (E_RNA)
where:
Base-Base interactions energy: -1203.378
where: short stacking energy: -525.733
Base-Backbone interact. energy: -0.212
local terms energy: -568.426176
where:
bonds (distance) C4'-P energy: -105.107
bonds (distance) P-C4' energy: -121.127
flat angles C4'-P-C4' energy: -120.290
flat angles P-C4'-P energy: -67.736
tors. eta vs tors. theta energy: -154.166
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: 7
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1685.525096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.525096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.525096 (E_RNA)
where:
Base-Base interactions energy: -1156.063
where: short stacking energy: -483.130
Base-Backbone interact. energy: 0.391
local terms energy: -529.852823
where:
bonds (distance) C4'-P energy: -98.038
bonds (distance) P-C4' energy: -106.986
flat angles C4'-P-C4' energy: -114.996
flat angles P-C4'-P energy: -66.798
tors. eta vs tors. theta energy: -143.036
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: 488
Temperature: 1.050000
Total energy: -1503.469463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.469463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.469463 (E_RNA)
where:
Base-Base interactions energy: -997.388
where: short stacking energy: -452.333
Base-Backbone interact. energy: 5.431
local terms energy: -511.512563
where:
bonds (distance) C4'-P energy: -98.989
bonds (distance) P-C4' energy: -96.401
flat angles C4'-P-C4' energy: -109.271
flat angles P-C4'-P energy: -79.441
tors. eta vs tors. theta energy: -127.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1478.749719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.749719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.749719 (E_RNA)
where:
Base-Base interactions energy: -981.760
where: short stacking energy: -422.474
Base-Backbone interact. energy: 0.830
local terms energy: -497.819270
where:
bonds (distance) C4'-P energy: -93.560
bonds (distance) P-C4' energy: -99.382
flat angles C4'-P-C4' energy: -109.007
flat angles P-C4'-P energy: -69.825
tors. eta vs tors. theta energy: -126.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1398.657881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.657881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.657881 (E_RNA)
where:
Base-Base interactions energy: -905.658
where: short stacking energy: -389.452
Base-Backbone interact. energy: 1.815
local terms energy: -494.814603
where:
bonds (distance) C4'-P energy: -109.991
bonds (distance) P-C4' energy: -100.261
flat angles C4'-P-C4' energy: -106.176
flat angles P-C4'-P energy: -76.854
tors. eta vs tors. theta energy: -101.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1314.050409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.050409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.050409 (E_RNA)
where:
Base-Base interactions energy: -871.488
where: short stacking energy: -387.766
Base-Backbone interact. energy: -1.036
local terms energy: -441.527040
where:
bonds (distance) C4'-P energy: -95.735
bonds (distance) P-C4' energy: -84.976
flat angles C4'-P-C4' energy: -92.855
flat angles P-C4'-P energy: -63.403
tors. eta vs tors. theta energy: -104.558
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: 3
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -972.268254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.268254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.268254 (E_RNA)
where:
Base-Base interactions energy: -575.147
where: short stacking energy: -271.775
Base-Backbone interact. energy: -2.615
local terms energy: -394.506871
where:
bonds (distance) C4'-P energy: -85.170
bonds (distance) P-C4' energy: -94.746
flat angles C4'-P-C4' energy: -99.709
flat angles P-C4'-P energy: -72.197
tors. eta vs tors. theta energy: -42.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -729.506395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.506395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.506395 (E_RNA)
where:
Base-Base interactions energy: -371.078
where: short stacking energy: -199.154
Base-Backbone interact. energy: -0.919
local terms energy: -357.509389
where:
bonds (distance) C4'-P energy: -82.520
bonds (distance) P-C4' energy: -84.951
flat angles C4'-P-C4' energy: -86.899
flat angles P-C4'-P energy: -68.592
tors. eta vs tors. theta energy: -34.546
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: 10, replica: 10
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -529.648382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.648382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.648382 (E_RNA)
where:
Base-Base interactions energy: -229.905
where: short stacking energy: -141.009
Base-Backbone interact. energy: -0.340
local terms energy: -299.402646
where:
bonds (distance) C4'-P energy: -97.925
bonds (distance) P-C4' energy: -90.339
flat angles C4'-P-C4' energy: -85.093
flat angles P-C4'-P energy: -34.153
tors. eta vs tors. theta energy: 8.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1898.555195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.555195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.555195 (E_RNA)
where:
Base-Base interactions energy: -1302.354
where: short stacking energy: -577.699
Base-Backbone interact. energy: -2.767
local terms energy: -593.433744
where:
bonds (distance) C4'-P energy: -101.348
bonds (distance) P-C4' energy: -113.295
flat angles C4'-P-C4' energy: -122.540
flat angles P-C4'-P energy: -93.278
tors. eta vs tors. theta energy: -162.972
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: 2, replica: 5
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1798.716090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.716090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.716090 (E_RNA)
where:
Base-Base interactions energy: -1219.642
where: short stacking energy: -539.360
Base-Backbone interact. energy: -0.127
local terms energy: -578.946809
where:
bonds (distance) C4'-P energy: -110.385
bonds (distance) P-C4' energy: -98.457
flat angles C4'-P-C4' energy: -112.834
flat angles P-C4'-P energy: -91.146
tors. eta vs tors. theta energy: -166.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1689.532201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.532201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.532201 (E_RNA)
where:
Base-Base interactions energy: -1171.752
where: short stacking energy: -487.712
Base-Backbone interact. energy: -3.664
local terms energy: -514.116603
where:
bonds (distance) C4'-P energy: -98.339
bonds (distance) P-C4' energy: -96.010
flat angles C4'-P-C4' energy: -104.013
flat angles P-C4'-P energy: -78.297
tors. eta vs tors. theta energy: -137.457
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: 6
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1537.521509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.521509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.521509 (E_RNA)
where:
Base-Base interactions energy: -1028.559
where: short stacking energy: -461.094
Base-Backbone interact. energy: 1.831
local terms energy: -510.793449
where:
bonds (distance) C4'-P energy: -109.912
bonds (distance) P-C4' energy: -105.485
flat angles C4'-P-C4' energy: -114.902
flat angles P-C4'-P energy: -57.936
tors. eta vs tors. theta energy: -122.559
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: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1459.702716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.702716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.702716 (E_RNA)
where:
Base-Base interactions energy: -985.582
where: short stacking energy: -428.769
Base-Backbone interact. energy: 1.480
local terms energy: -475.600625
where:
bonds (distance) C4'-P energy: -84.919
bonds (distance) P-C4' energy: -100.616
flat angles C4'-P-C4' energy: -100.042
flat angles P-C4'-P energy: -70.409
tors. eta vs tors. theta energy: -119.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1428.267076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.267076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.267076 (E_RNA)
where:
Base-Base interactions energy: -967.397
where: short stacking energy: -410.460
Base-Backbone interact. energy: -2.751
local terms energy: -458.119425
where:
bonds (distance) C4'-P energy: -82.146
bonds (distance) P-C4' energy: -94.599
flat angles C4'-P-C4' energy: -104.764
flat angles P-C4'-P energy: -63.687
tors. eta vs tors. theta energy: -112.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1251.737712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.737712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.737712 (E_RNA)
where:
Base-Base interactions energy: -824.774
where: short stacking energy: -356.681
Base-Backbone interact. energy: -1.463
local terms energy: -425.501297
where:
bonds (distance) C4'-P energy: -89.184
bonds (distance) P-C4' energy: -107.985
flat angles C4'-P-C4' energy: -88.439
flat angles P-C4'-P energy: -48.190
tors. eta vs tors. theta energy: -91.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -981.133422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.133422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.133422 (E_RNA)
where:
Base-Base interactions energy: -632.381
where: short stacking energy: -302.954
Base-Backbone interact. energy: -1.370
local terms energy: -347.382562
where:
bonds (distance) C4'-P energy: -80.655
bonds (distance) P-C4' energy: -89.132
flat angles C4'-P-C4' energy: -88.698
flat angles P-C4'-P energy: -28.498
tors. eta vs tors. theta energy: -60.399
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: 8
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -635.328237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.328237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.328237 (E_RNA)
where:
Base-Base interactions energy: -309.212
where: short stacking energy: -173.471
Base-Backbone interact. energy: -0.728
local terms energy: -325.388506
where:
bonds (distance) C4'-P energy: -70.864
bonds (distance) P-C4' energy: -109.307
flat angles C4'-P-C4' energy: -92.753
flat angles P-C4'-P energy: -45.913
tors. eta vs tors. theta energy: -6.551
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: 489
Temperature: 1.350000
Total energy: -509.283679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.283679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.283679 (E_RNA)
where:
Base-Base interactions energy: -188.156
where: short stacking energy: -114.736
Base-Backbone interact. energy: 1.984
local terms energy: -323.111610
where:
bonds (distance) C4'-P energy: -82.883
bonds (distance) P-C4' energy: -105.574
flat angles C4'-P-C4' energy: -88.713
flat angles P-C4'-P energy: -61.782
tors. eta vs tors. theta energy: 15.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1908.601455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.601455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.601455 (E_RNA)
where:
Base-Base interactions energy: -1320.476
where: short stacking energy: -566.268
Base-Backbone interact. energy: -2.270
local terms energy: -585.855882
where:
bonds (distance) C4'-P energy: -107.549
bonds (distance) P-C4' energy: -102.102
flat angles C4'-P-C4' energy: -126.514
flat angles P-C4'-P energy: -83.591
tors. eta vs tors. theta energy: -166.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1801.332126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.332126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.332126 (E_RNA)
where:
Base-Base interactions energy: -1211.515
where: short stacking energy: -548.843
Base-Backbone interact. energy: -0.500
local terms energy: -589.317963
where:
bonds (distance) C4'-P energy: -114.274
bonds (distance) P-C4' energy: -94.039
flat angles C4'-P-C4' energy: -124.294
flat angles P-C4'-P energy: -81.124
tors. eta vs tors. theta energy: -175.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1697.817935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.817935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.817935 (E_RNA)
where:
Base-Base interactions energy: -1186.241
where: short stacking energy: -479.839
Base-Backbone interact. energy: -0.844
local terms energy: -510.732473
where:
bonds (distance) C4'-P energy: -95.454
bonds (distance) P-C4' energy: -101.947
flat angles C4'-P-C4' energy: -117.144
flat angles P-C4'-P energy: -70.650
tors. eta vs tors. theta energy: -125.538
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: 6
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1551.678693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.678693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.678693 (E_RNA)
where:
Base-Base interactions energy: -1030.252
where: short stacking energy: -455.630
Base-Backbone interact. energy: -2.543
local terms energy: -518.883673
where:
bonds (distance) C4'-P energy: -97.086
bonds (distance) P-C4' energy: -103.340
flat angles C4'-P-C4' energy: -111.796
flat angles P-C4'-P energy: -79.560
tors. eta vs tors. theta energy: -127.100
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: 1
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1414.309643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.309643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.309643 (E_RNA)
where:
Base-Base interactions energy: -965.399
where: short stacking energy: -428.826
Base-Backbone interact. energy: -2.012
local terms energy: -446.898255
where:
bonds (distance) C4'-P energy: -92.154
bonds (distance) P-C4' energy: -81.825
flat angles C4'-P-C4' energy: -95.641
flat angles P-C4'-P energy: -59.804
tors. eta vs tors. theta energy: -117.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1385.243379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.243379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.243379 (E_RNA)
where:
Base-Base interactions energy: -939.311
where: short stacking energy: -385.382
Base-Backbone interact. energy: 0.865
local terms energy: -446.798045
where:
bonds (distance) C4'-P energy: -93.496
bonds (distance) P-C4' energy: -82.412
flat angles C4'-P-C4' energy: -88.805
flat angles P-C4'-P energy: -71.996
tors. eta vs tors. theta energy: -110.088
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: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1273.464317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.464317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.464317 (E_RNA)
where:
Base-Base interactions energy: -853.776
where: short stacking energy: -372.184
Base-Backbone interact. energy: -1.776
local terms energy: -417.912444
where:
bonds (distance) C4'-P energy: -75.172
bonds (distance) P-C4' energy: -95.888
flat angles C4'-P-C4' energy: -98.936
flat angles P-C4'-P energy: -59.040
tors. eta vs tors. theta energy: -88.876
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: 3
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1021.088867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.088867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.088867 (E_RNA)
where:
Base-Base interactions energy: -600.430
where: short stacking energy: -293.549
Base-Backbone interact. energy: -2.311
local terms energy: -418.347966
where:
bonds (distance) C4'-P energy: -93.808
bonds (distance) P-C4' energy: -112.600
flat angles C4'-P-C4' energy: -101.885
flat angles P-C4'-P energy: -56.894
tors. eta vs tors. theta energy: -53.160
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: 9, replica: 8
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -648.844366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.844366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.844366 (E_RNA)
where:
Base-Base interactions energy: -313.391
where: short stacking energy: -181.096
Base-Backbone interact. energy: 3.609
local terms energy: -339.062049
where:
bonds (distance) C4'-P energy: -88.504
bonds (distance) P-C4' energy: -106.994
flat angles C4'-P-C4' energy: -72.674
flat angles P-C4'-P energy: -65.909
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -547.164125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.164125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.164125 (E_RNA)
where:
Base-Base interactions energy: -238.167
where: short stacking energy: -151.216
Base-Backbone interact. energy: -0.027
local terms energy: -308.970116
where:
bonds (distance) C4'-P energy: -89.360
bonds (distance) P-C4' energy: -90.449
flat angles C4'-P-C4' energy: -77.470
flat angles P-C4'-P energy: -58.404
tors. eta vs tors. theta energy: 6.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1908.726330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.726330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.726330 (E_RNA)
where:
Base-Base interactions energy: -1315.936
where: short stacking energy: -571.092
Base-Backbone interact. energy: -1.787
local terms energy: -591.002698
where:
bonds (distance) C4'-P energy: -109.468
bonds (distance) P-C4' energy: -114.609
flat angles C4'-P-C4' energy: -118.058
flat angles P-C4'-P energy: -84.347
tors. eta vs tors. theta energy: -164.521
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: 491
Temperature: 0.950000
Total energy: -1786.246296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.246296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.246296 (E_RNA)
where:
Base-Base interactions energy: -1207.588
where: short stacking energy: -540.213
Base-Backbone interact. energy: -2.288
local terms energy: -576.370455
where:
bonds (distance) C4'-P energy: -111.525
bonds (distance) P-C4' energy: -110.044
flat angles C4'-P-C4' energy: -111.472
flat angles P-C4'-P energy: -86.959
tors. eta vs tors. theta energy: -156.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1696.605096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.605096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.605096 (E_RNA)
where:
Base-Base interactions energy: -1177.146
where: short stacking energy: -474.863
Base-Backbone interact. energy: -1.413
local terms energy: -518.045804
where:
bonds (distance) C4'-P energy: -101.634
bonds (distance) P-C4' energy: -110.201
flat angles C4'-P-C4' energy: -112.052
flat angles P-C4'-P energy: -69.387
tors. eta vs tors. theta energy: -124.772
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: 6
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1496.607789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.607789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.607789 (E_RNA)
where:
Base-Base interactions energy: -1000.223
where: short stacking energy: -443.980
Base-Backbone interact. energy: -2.069
local terms energy: -494.315787
where:
bonds (distance) C4'-P energy: -102.112
bonds (distance) P-C4' energy: -101.700
flat angles C4'-P-C4' energy: -100.273
flat angles P-C4'-P energy: -79.202
tors. eta vs tors. theta energy: -111.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1447.805113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.805113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.805113 (E_RNA)
where:
Base-Base interactions energy: -961.045
where: short stacking energy: -423.751
Base-Backbone interact. energy: 2.800
local terms energy: -489.559965
where:
bonds (distance) C4'-P energy: -98.936
bonds (distance) P-C4' energy: -95.593
flat angles C4'-P-C4' energy: -103.131
flat angles P-C4'-P energy: -75.562
tors. eta vs tors. theta energy: -116.337
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: 4
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1431.792653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.792653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.792653 (E_RNA)
where:
Base-Base interactions energy: -954.669
where: short stacking energy: -425.121
Base-Backbone interact. energy: -1.876
local terms energy: -475.247594
where:
bonds (distance) C4'-P energy: -101.588
bonds (distance) P-C4' energy: -85.718
flat angles C4'-P-C4' energy: -107.986
flat angles P-C4'-P energy: -70.753
tors. eta vs tors. theta energy: -109.202
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: 9
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1265.595913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.595913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.595913 (E_RNA)
where:
Base-Base interactions energy: -843.659
where: short stacking energy: -361.310
Base-Backbone interact. energy: -0.629
local terms energy: -421.307962
where:
bonds (distance) C4'-P energy: -90.036
bonds (distance) P-C4' energy: -87.965
flat angles C4'-P-C4' energy: -90.953
flat angles P-C4'-P energy: -68.790
tors. eta vs tors. theta energy: -83.564
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: 3
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -966.120572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.120572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.120572 (E_RNA)
where:
Base-Base interactions energy: -582.311
where: short stacking energy: -281.395
Base-Backbone interact. energy: 1.118
local terms energy: -384.927052
where:
bonds (distance) C4'-P energy: -90.475
bonds (distance) P-C4' energy: -93.164
flat angles C4'-P-C4' energy: -83.513
flat angles P-C4'-P energy: -62.635
tors. eta vs tors. theta energy: -55.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -763.863290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.863290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.863290 (E_RNA)
where:
Base-Base interactions energy: -425.886
where: short stacking energy: -199.989
Base-Backbone interact. energy: 0.965
local terms energy: -338.942430
where:
bonds (distance) C4'-P energy: -82.061
bonds (distance) P-C4' energy: -91.075
flat angles C4'-P-C4' energy: -88.139
flat angles P-C4'-P energy: -50.536
tors. eta vs tors. theta energy: -27.131
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: 491
Temperature: 1.350000
Total energy: -582.445693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.445693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.445693 (E_RNA)
where:
Base-Base interactions energy: -268.099
where: short stacking energy: -170.145
Base-Backbone interact. energy: -1.696
local terms energy: -312.650940
where:
bonds (distance) C4'-P energy: -82.178
bonds (distance) P-C4' energy: -89.592
flat angles C4'-P-C4' energy: -82.577
flat angles P-C4'-P energy: -52.761
tors. eta vs tors. theta energy: -5.544
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: 1, replica: 2
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1907.583771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.583771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.583771 (E_RNA)
where:
Base-Base interactions energy: -1314.080
where: short stacking energy: -550.718
Base-Backbone interact. energy: -3.572
local terms energy: -589.931422
where:
bonds (distance) C4'-P energy: -110.891
bonds (distance) P-C4' energy: -114.074
flat angles C4'-P-C4' energy: -120.655
flat angles P-C4'-P energy: -88.822
tors. eta vs tors. theta energy: -155.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1806.846512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.846512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.846512 (E_RNA)
where:
Base-Base interactions energy: -1226.024
where: short stacking energy: -570.146
Base-Backbone interact. energy: -3.571
local terms energy: -577.251539
where:
bonds (distance) C4'-P energy: -108.582
bonds (distance) P-C4' energy: -91.987
flat angles C4'-P-C4' energy: -127.853
flat angles P-C4'-P energy: -81.533
tors. eta vs tors. theta energy: -167.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1701.591251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.591251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.591251 (E_RNA)
where:
Base-Base interactions energy: -1172.686
where: short stacking energy: -490.518
Base-Backbone interact. energy: -2.111
local terms energy: -526.794157
where:
bonds (distance) C4'-P energy: -84.897
bonds (distance) P-C4' energy: -114.441
flat angles C4'-P-C4' energy: -102.592
flat angles P-C4'-P energy: -82.350
tors. eta vs tors. theta energy: -142.514
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: 4, replica: 6
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1501.320060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.320060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.320060 (E_RNA)
where:
Base-Base interactions energy: -1008.481
where: short stacking energy: -444.382
Base-Backbone interact. energy: -0.865
local terms energy: -491.973946
where:
bonds (distance) C4'-P energy: -102.558
bonds (distance) P-C4' energy: -99.026
flat angles C4'-P-C4' energy: -104.864
flat angles P-C4'-P energy: -69.225
tors. eta vs tors. theta energy: -116.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1440.005745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.005745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.005745 (E_RNA)
where:
Base-Base interactions energy: -959.392
where: short stacking energy: -406.359
Base-Backbone interact. energy: -0.950
local terms energy: -479.663829
where:
bonds (distance) C4'-P energy: -95.189
bonds (distance) P-C4' energy: -102.496
flat angles C4'-P-C4' energy: -111.784
flat angles P-C4'-P energy: -80.194
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: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1396.314265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.314265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.314265 (E_RNA)
where:
Base-Base interactions energy: -921.177
where: short stacking energy: -380.036
Base-Backbone interact. energy: -0.804
local terms energy: -474.332977
where:
bonds (distance) C4'-P energy: -102.605
bonds (distance) P-C4' energy: -95.164
flat angles C4'-P-C4' energy: -110.184
flat angles P-C4'-P energy: -63.121
tors. eta vs tors. theta energy: -103.259
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: 492
Temperature: 1.200000
Total energy: -1218.214060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.214060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.214060 (E_RNA)
where:
Base-Base interactions energy: -790.088
where: short stacking energy: -354.139
Base-Backbone interact. energy: -0.002
local terms energy: -428.123836
where:
bonds (distance) C4'-P energy: -100.098
bonds (distance) P-C4' energy: -86.670
flat angles C4'-P-C4' energy: -97.094
flat angles P-C4'-P energy: -58.574
tors. eta vs tors. theta energy: -85.688
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: 3
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -927.570536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.570536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.570536 (E_RNA)
where:
Base-Base interactions energy: -558.203
where: short stacking energy: -259.977
Base-Backbone interact. energy: 0.658
local terms energy: -370.026237
where:
bonds (distance) C4'-P energy: -83.451
bonds (distance) P-C4' energy: -109.714
flat angles C4'-P-C4' energy: -80.707
flat angles P-C4'-P energy: -51.051
tors. eta vs tors. theta energy: -45.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -804.622539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.622539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.622539 (E_RNA)
where:
Base-Base interactions energy: -449.285
where: short stacking energy: -191.684
Base-Backbone interact. energy: -3.797
local terms energy: -351.540284
where:
bonds (distance) C4'-P energy: -87.685
bonds (distance) P-C4' energy: -110.542
flat angles C4'-P-C4' energy: -88.209
flat angles P-C4'-P energy: -53.794
tors. eta vs tors. theta energy: -11.311
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: 492
Temperature: 1.350000
Total energy: -585.003733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.003733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.003733 (E_RNA)
where:
Base-Base interactions energy: -286.255
where: short stacking energy: -189.740
Base-Backbone interact. energy: -0.382
local terms energy: -298.366499
where:
bonds (distance) C4'-P energy: -93.016
bonds (distance) P-C4' energy: -93.770
flat angles C4'-P-C4' energy: -57.281
flat angles P-C4'-P energy: -42.581
tors. eta vs tors. theta energy: -11.718
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: 1, replica: 2
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1869.167935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.167935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.167935 (E_RNA)
where:
Base-Base interactions energy: -1284.177
where: short stacking energy: -543.037
Base-Backbone interact. energy: -1.996
local terms energy: -582.995540
where:
bonds (distance) C4'-P energy: -98.486
bonds (distance) P-C4' energy: -116.555
flat angles C4'-P-C4' energy: -127.184
flat angles P-C4'-P energy: -79.237
tors. eta vs tors. theta energy: -161.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1775.343557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.343557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.343557 (E_RNA)
where:
Base-Base interactions energy: -1201.280
where: short stacking energy: -534.684
Base-Backbone interact. energy: 0.208
local terms energy: -574.271471
where:
bonds (distance) C4'-P energy: -108.655
bonds (distance) P-C4' energy: -106.357
flat angles C4'-P-C4' energy: -125.242
flat angles P-C4'-P energy: -79.602
tors. eta vs tors. theta energy: -154.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1751.315175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.315175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.315175 (E_RNA)
where:
Base-Base interactions energy: -1200.337
where: short stacking energy: -495.011
Base-Backbone interact. energy: -1.089
local terms energy: -549.889723
where:
bonds (distance) C4'-P energy: -93.781
bonds (distance) P-C4' energy: -108.826
flat angles C4'-P-C4' energy: -115.338
flat angles P-C4'-P energy: -81.352
tors. eta vs tors. theta energy: -150.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1511.759676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.759676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.759676 (E_RNA)
where:
Base-Base interactions energy: -990.794
where: short stacking energy: -424.853
Base-Backbone interact. energy: -1.066
local terms energy: -519.899529
where:
bonds (distance) C4'-P energy: -101.247
bonds (distance) P-C4' energy: -101.843
flat angles C4'-P-C4' energy: -125.150
flat angles P-C4'-P energy: -73.614
tors. eta vs tors. theta energy: -118.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1412.328671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.328671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.328671 (E_RNA)
where:
Base-Base interactions energy: -950.586
where: short stacking energy: -419.770
Base-Backbone interact. energy: 0.233
local terms energy: -461.975882
where:
bonds (distance) C4'-P energy: -84.647
bonds (distance) P-C4' energy: -105.004
flat angles C4'-P-C4' energy: -92.041
flat angles P-C4'-P energy: -73.847
tors. eta vs tors. theta energy: -106.438
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: 493
Temperature: 1.150000
Total energy: -1409.807841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.807841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.807841 (E_RNA)
where:
Base-Base interactions energy: -955.812
where: short stacking energy: -424.624
Base-Backbone interact. energy: -1.912
local terms energy: -452.083372
where:
bonds (distance) C4'-P energy: -90.781
bonds (distance) P-C4' energy: -99.754
flat angles C4'-P-C4' energy: -87.805
flat angles P-C4'-P energy: -63.088
tors. eta vs tors. theta energy: -110.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1208.075575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.075575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.075575 (E_RNA)
where:
Base-Base interactions energy: -774.869
where: short stacking energy: -342.122
Base-Backbone interact. energy: -0.679
local terms energy: -432.527508
where:
bonds (distance) C4'-P energy: -103.849
bonds (distance) P-C4' energy: -103.922
flat angles C4'-P-C4' energy: -107.407
flat angles P-C4'-P energy: -61.395
tors. eta vs tors. theta energy: -55.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -953.221968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.221968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.221968 (E_RNA)
where:
Base-Base interactions energy: -562.902
where: short stacking energy: -284.587
Base-Backbone interact. energy: -2.301
local terms energy: -388.018422
where:
bonds (distance) C4'-P energy: -89.671
bonds (distance) P-C4' energy: -100.505
flat angles C4'-P-C4' energy: -97.098
flat angles P-C4'-P energy: -59.305
tors. eta vs tors. theta energy: -41.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -792.755570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.755570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.755570 (E_RNA)
where:
Base-Base interactions energy: -447.051
where: short stacking energy: -217.349
Base-Backbone interact. energy: -4.267
local terms energy: -341.438242
where:
bonds (distance) C4'-P energy: -90.948
bonds (distance) P-C4' energy: -102.353
flat angles C4'-P-C4' energy: -78.628
flat angles P-C4'-P energy: -41.227
tors. eta vs tors. theta energy: -28.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -563.426538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.426538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.426538 (E_RNA)
where:
Base-Base interactions energy: -283.494
where: short stacking energy: -168.938
Base-Backbone interact. energy: 0.768
local terms energy: -280.700205
where:
bonds (distance) C4'-P energy: -64.677
bonds (distance) P-C4' energy: -85.007
flat angles C4'-P-C4' energy: -94.730
flat angles P-C4'-P energy: -46.359
tors. eta vs tors. theta energy: 10.072
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: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1886.278356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.278356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.278356 (E_RNA)
where:
Base-Base interactions energy: -1302.530
where: short stacking energy: -554.166
Base-Backbone interact. energy: -2.392
local terms energy: -581.356167
where:
bonds (distance) C4'-P energy: -104.107
bonds (distance) P-C4' energy: -108.926
flat angles C4'-P-C4' energy: -123.620
flat angles P-C4'-P energy: -86.692
tors. eta vs tors. theta energy: -158.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1823.025409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.025409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.025409 (E_RNA)
where:
Base-Base interactions energy: -1229.424
where: short stacking energy: -551.796
Base-Backbone interact. energy: -1.785
local terms energy: -591.815900
where:
bonds (distance) C4'-P energy: -103.312
bonds (distance) P-C4' energy: -124.722
flat angles C4'-P-C4' energy: -116.906
flat angles P-C4'-P energy: -80.511
tors. eta vs tors. theta energy: -166.364
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: 7
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1693.996948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.996948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.996948 (E_RNA)
where:
Base-Base interactions energy: -1166.381
where: short stacking energy: -445.956
Base-Backbone interact. energy: -4.187
local terms energy: -523.429398
where:
bonds (distance) C4'-P energy: -100.402
bonds (distance) P-C4' energy: -102.870
flat angles C4'-P-C4' energy: -124.742
flat angles P-C4'-P energy: -56.528
tors. eta vs tors. theta energy: -138.887
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: 6
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1527.852983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.852983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.852983 (E_RNA)
where:
Base-Base interactions energy: -999.733
where: short stacking energy: -444.394
Base-Backbone interact. energy: -2.445
local terms energy: -525.675075
where:
bonds (distance) C4'-P energy: -102.482
bonds (distance) P-C4' energy: -110.172
flat angles C4'-P-C4' energy: -109.378
flat angles P-C4'-P energy: -72.769
tors. eta vs tors. theta energy: -130.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1478.732946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.732946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.732946 (E_RNA)
where:
Base-Base interactions energy: -984.283
where: short stacking energy: -417.946
Base-Backbone interact. energy: -1.886
local terms energy: -492.564414
where:
bonds (distance) C4'-P energy: -96.944
bonds (distance) P-C4' energy: -105.369
flat angles C4'-P-C4' energy: -107.522
flat angles P-C4'-P energy: -71.013
tors. eta vs tors. theta energy: -111.716
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: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1310.107436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.107436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.107436 (E_RNA)
where:
Base-Base interactions energy: -882.195
where: short stacking energy: -369.517
Base-Backbone interact. energy: 1.401
local terms energy: -429.313383
where:
bonds (distance) C4'-P energy: -91.711
bonds (distance) P-C4' energy: -90.365
flat angles C4'-P-C4' energy: -105.732
flat angles P-C4'-P energy: -58.870
tors. eta vs tors. theta energy: -82.636
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: 9
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1232.146245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.146245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.146245 (E_RNA)
where:
Base-Base interactions energy: -805.377
where: short stacking energy: -337.824
Base-Backbone interact. energy: 2.098
local terms energy: -428.867294
where:
bonds (distance) C4'-P energy: -86.275
bonds (distance) P-C4' energy: -95.990
flat angles C4'-P-C4' energy: -100.045
flat angles P-C4'-P energy: -78.270
tors. eta vs tors. theta energy: -68.288
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: 3
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -929.758145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.758145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.758145 (E_RNA)
where:
Base-Base interactions energy: -582.649
where: short stacking energy: -274.475
Base-Backbone interact. energy: -1.386
local terms energy: -345.723449
where:
bonds (distance) C4'-P energy: -90.591
bonds (distance) P-C4' energy: -90.045
flat angles C4'-P-C4' energy: -75.774
flat angles P-C4'-P energy: -57.848
tors. eta vs tors. theta energy: -31.467
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: 9, replica: 8
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -770.010471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.010471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.010471 (E_RNA)
where:
Base-Base interactions energy: -430.465
where: short stacking energy: -218.835
Base-Backbone interact. energy: -2.888
local terms energy: -336.657894
where:
bonds (distance) C4'-P energy: -93.734
bonds (distance) P-C4' energy: -85.024
flat angles C4'-P-C4' energy: -85.885
flat angles P-C4'-P energy: -39.685
tors. eta vs tors. theta energy: -32.330
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: 494
Temperature: 1.350000
Total energy: -537.800547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.800547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.800547 (E_RNA)
where:
Base-Base interactions energy: -218.114
where: short stacking energy: -145.024
Base-Backbone interact. energy: 1.012
local terms energy: -320.698199
where:
bonds (distance) C4'-P energy: -89.960
bonds (distance) P-C4' energy: -102.174
flat angles C4'-P-C4' energy: -85.505
flat angles P-C4'-P energy: -60.517
tors. eta vs tors. theta energy: 17.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1881.398599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.398599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.398599 (E_RNA)
where:
Base-Base interactions energy: -1283.034
where: short stacking energy: -555.221
Base-Backbone interact. energy: -2.375
local terms energy: -595.989668
where:
bonds (distance) C4'-P energy: -97.732
bonds (distance) P-C4' energy: -111.966
flat angles C4'-P-C4' energy: -127.967
flat angles P-C4'-P energy: -92.940
tors. eta vs tors. theta energy: -165.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1857.592001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.592001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.592001 (E_RNA)
where:
Base-Base interactions energy: -1265.062
where: short stacking energy: -580.102
Base-Backbone interact. energy: 0.131
local terms energy: -592.661254
where:
bonds (distance) C4'-P energy: -106.517
bonds (distance) P-C4' energy: -101.139
flat angles C4'-P-C4' energy: -124.997
flat angles P-C4'-P energy: -88.572
tors. eta vs tors. theta energy: -171.436
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: 3, replica: 7
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1747.205030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.205030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.205030 (E_RNA)
where:
Base-Base interactions energy: -1195.136
where: short stacking energy: -502.373
Base-Backbone interact. energy: -3.273
local terms energy: -548.795157
where:
bonds (distance) C4'-P energy: -104.253
bonds (distance) P-C4' energy: -109.262
flat angles C4'-P-C4' energy: -107.685
flat angles P-C4'-P energy: -81.293
tors. eta vs tors. theta energy: -146.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1551.595293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.595293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.595293 (E_RNA)
where:
Base-Base interactions energy: -999.136
where: short stacking energy: -456.234
Base-Backbone interact. energy: -1.208
local terms energy: -551.250987
where:
bonds (distance) C4'-P energy: -111.255
bonds (distance) P-C4' energy: -109.231
flat angles C4'-P-C4' energy: -118.466
flat angles P-C4'-P energy: -80.877
tors. eta vs tors. theta energy: -131.422
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: 4
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -1432.903444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.903444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.903444 (E_RNA)
where:
Base-Base interactions energy: -961.448
where: short stacking energy: -418.912
Base-Backbone interact. energy: -0.864
local terms energy: -470.592163
where:
bonds (distance) C4'-P energy: -86.849
bonds (distance) P-C4' energy: -103.327
flat angles C4'-P-C4' energy: -109.548
flat angles P-C4'-P energy: -72.816
tors. eta vs tors. theta energy: -98.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1376.637142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.637142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.637142 (E_RNA)
where:
Base-Base interactions energy: -941.416
where: short stacking energy: -420.476
Base-Backbone interact. energy: -4.806
local terms energy: -430.415761
where:
bonds (distance) C4'-P energy: -83.392
bonds (distance) P-C4' energy: -90.503
flat angles C4'-P-C4' energy: -101.215
flat angles P-C4'-P energy: -55.854
tors. eta vs tors. theta energy: -99.452
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: 7, replica: 9
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1218.425766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.425766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.425766 (E_RNA)
where:
Base-Base interactions energy: -797.536
where: short stacking energy: -334.886
Base-Backbone interact. energy: -3.417
local terms energy: -417.472721
where:
bonds (distance) C4'-P energy: -102.334
bonds (distance) P-C4' energy: -96.021
flat angles C4'-P-C4' energy: -93.857
flat angles P-C4'-P energy: -56.754
tors. eta vs tors. theta energy: -68.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -935.692654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.692654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.692654 (E_RNA)
where:
Base-Base interactions energy: -549.489
where: short stacking energy: -272.989
Base-Backbone interact. energy: 0.447
local terms energy: -386.650903
where:
bonds (distance) C4'-P energy: -91.355
bonds (distance) P-C4' energy: -89.402
flat angles C4'-P-C4' energy: -106.059
flat angles P-C4'-P energy: -61.764
tors. eta vs tors. theta energy: -38.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -801.948435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.948435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.948435 (E_RNA)
where:
Base-Base interactions energy: -467.725
where: short stacking energy: -233.418
Base-Backbone interact. energy: -3.044
local terms energy: -331.180039
where:
bonds (distance) C4'-P energy: -75.320
bonds (distance) P-C4' energy: -97.258
flat angles C4'-P-C4' energy: -77.745
flat angles P-C4'-P energy: -41.398
tors. eta vs tors. theta energy: -39.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -500.819568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.819568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.819568 (E_RNA)
where:
Base-Base interactions energy: -222.712
where: short stacking energy: -170.408
Base-Backbone interact. energy: -0.013
local terms energy: -278.095055
where:
bonds (distance) C4'-P energy: -80.231
bonds (distance) P-C4' energy: -86.003
flat angles C4'-P-C4' energy: -76.196
flat angles P-C4'-P energy: -27.436
tors. eta vs tors. theta energy: -8.229
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: 2
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1939.257446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.257446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.257446 (E_RNA)
where:
Base-Base interactions energy: -1323.854
where: short stacking energy: -573.324
Base-Backbone interact. energy: -2.575
local terms energy: -612.828766
where:
bonds (distance) C4'-P energy: -111.833
bonds (distance) P-C4' energy: -116.490
flat angles C4'-P-C4' energy: -120.866
flat angles P-C4'-P energy: -90.184
tors. eta vs tors. theta energy: -173.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1815.715773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.715773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.715773 (E_RNA)
where:
Base-Base interactions energy: -1244.893
where: short stacking energy: -566.907
Base-Backbone interact. energy: -1.918
local terms energy: -568.904902
where:
bonds (distance) C4'-P energy: -103.840
bonds (distance) P-C4' energy: -94.788
flat angles C4'-P-C4' energy: -120.545
flat angles P-C4'-P energy: -82.674
tors. eta vs tors. theta energy: -167.059
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: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -1727.329682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.329682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.329682 (E_RNA)
where:
Base-Base interactions energy: -1184.294
where: short stacking energy: -516.833
Base-Backbone interact. energy: -2.759
local terms energy: -540.277139
where:
bonds (distance) C4'-P energy: -112.336
bonds (distance) P-C4' energy: -103.666
flat angles C4'-P-C4' energy: -108.559
flat angles P-C4'-P energy: -67.820
tors. eta vs tors. theta energy: -147.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -1545.791486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.791486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.791486 (E_RNA)
where:
Base-Base interactions energy: -1024.562
where: short stacking energy: -456.125
Base-Backbone interact. energy: 1.800
local terms energy: -523.029527
where:
bonds (distance) C4'-P energy: -110.965
bonds (distance) P-C4' energy: -108.805
flat angles C4'-P-C4' energy: -112.102
flat angles P-C4'-P energy: -62.916
tors. eta vs tors. theta energy: -128.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -1482.129997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.129997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.129997 (E_RNA)
where:
Base-Base interactions energy: -986.486
where: short stacking energy: -436.180
Base-Backbone interact. energy: -0.663
local terms energy: -494.981507
where:
bonds (distance) C4'-P energy: -96.482
bonds (distance) P-C4' energy: -108.902
flat angles C4'-P-C4' energy: -106.713
flat angles P-C4'-P energy: -72.121
tors. eta vs tors. theta energy: -110.763
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: 1
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1363.965434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.965434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.965434 (E_RNA)
where:
Base-Base interactions energy: -904.985
where: short stacking energy: -384.231
Base-Backbone interact. energy: -1.060
local terms energy: -457.920707
where:
bonds (distance) C4'-P energy: -85.694
bonds (distance) P-C4' energy: -94.587
flat angles C4'-P-C4' energy: -109.406
flat angles P-C4'-P energy: -70.260
tors. eta vs tors. theta energy: -97.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -1221.233012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.233012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.233012 (E_RNA)
where:
Base-Base interactions energy: -802.788
where: short stacking energy: -373.995
Base-Backbone interact. energy: -3.508
local terms energy: -414.937465
where:
bonds (distance) C4'-P energy: -71.459
bonds (distance) P-C4' energy: -92.023
flat angles C4'-P-C4' energy: -103.033
flat angles P-C4'-P energy: -61.688
tors. eta vs tors. theta energy: -86.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -888.927712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.927712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.927712 (E_RNA)
where:
Base-Base interactions energy: -538.303
where: short stacking energy: -219.149
Base-Backbone interact. energy: -1.930
local terms energy: -348.694637
where:
bonds (distance) C4'-P energy: -88.175
bonds (distance) P-C4' energy: -93.766
flat angles C4'-P-C4' energy: -105.603
flat angles P-C4'-P energy: -52.053
tors. eta vs tors. theta energy: -9.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -771.460682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.460682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.460682 (E_RNA)
where:
Base-Base interactions energy: -455.890
where: short stacking energy: -234.584
Base-Backbone interact. energy: -0.748
local terms energy: -314.822636
where:
bonds (distance) C4'-P energy: -72.446
bonds (distance) P-C4' energy: -85.746
flat angles C4'-P-C4' energy: -87.404
flat angles P-C4'-P energy: -43.150
tors. eta vs tors. theta energy: -26.075
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: 496
Temperature: 1.350000
Total energy: -562.647181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.647181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.647181 (E_RNA)
where:
Base-Base interactions energy: -266.714
where: short stacking energy: -168.979
Base-Backbone interact. energy: 0.478
local terms energy: -296.411254
where:
bonds (distance) C4'-P energy: -86.016
bonds (distance) P-C4' energy: -104.090
flat angles C4'-P-C4' energy: -67.666
flat angles P-C4'-P energy: -40.806
tors. eta vs tors. theta energy: 2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1929.178889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.178889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.178889 (E_RNA)
where:
Base-Base interactions energy: -1353.491
where: short stacking energy: -570.812
Base-Backbone interact. energy: -1.458
local terms energy: -574.229564
where:
bonds (distance) C4'-P energy: -114.283
bonds (distance) P-C4' energy: -103.503
flat angles C4'-P-C4' energy: -113.929
flat angles P-C4'-P energy: -74.632
tors. eta vs tors. theta energy: -167.883
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: 7
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1752.653592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.653592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.653592 (E_RNA)
where:
Base-Base interactions energy: -1201.360
where: short stacking energy: -508.356
Base-Backbone interact. energy: -0.621
local terms energy: -550.673343
where:
bonds (distance) C4'-P energy: -106.403
bonds (distance) P-C4' energy: -102.840
flat angles C4'-P-C4' energy: -121.320
flat angles P-C4'-P energy: -78.393
tors. eta vs tors. theta energy: -141.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -1727.259896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.259896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.259896 (E_RNA)
where:
Base-Base interactions energy: -1158.378
where: short stacking energy: -509.764
Base-Backbone interact. energy: -2.916
local terms energy: -565.965953
where:
bonds (distance) C4'-P energy: -100.083
bonds (distance) P-C4' energy: -119.405
flat angles C4'-P-C4' energy: -109.138
flat angles P-C4'-P energy: -80.139
tors. eta vs tors. theta energy: -157.201
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: 6
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -1520.709228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.709228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.709228 (E_RNA)
where:
Base-Base interactions energy: -1030.076
where: short stacking energy: -445.741
Base-Backbone interact. energy: -1.556
local terms energy: -489.077506
where:
bonds (distance) C4'-P energy: -82.351
bonds (distance) P-C4' energy: -98.068
flat angles C4'-P-C4' energy: -113.505
flat angles P-C4'-P energy: -74.181
tors. eta vs tors. theta energy: -120.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -1465.833687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.833687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.833687 (E_RNA)
where:
Base-Base interactions energy: -974.617
where: short stacking energy: -424.908
Base-Backbone interact. energy: -1.748
local terms energy: -489.469510
where:
bonds (distance) C4'-P energy: -93.513
bonds (distance) P-C4' energy: -102.552
flat angles C4'-P-C4' energy: -103.267
flat angles P-C4'-P energy: -73.358
tors. eta vs tors. theta energy: -116.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -1378.408038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.408038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.408038 (E_RNA)
where:
Base-Base interactions energy: -941.835
where: short stacking energy: -410.004
Base-Backbone interact. energy: -1.463
local terms energy: -435.110141
where:
bonds (distance) C4'-P energy: -88.135
bonds (distance) P-C4' energy: -94.772
flat angles C4'-P-C4' energy: -86.206
flat angles P-C4'-P energy: -60.877
tors. eta vs tors. theta energy: -105.119
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: 497
Temperature: 1.200000
Total energy: -1231.692289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.692289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.692289 (E_RNA)
where:
Base-Base interactions energy: -809.134
where: short stacking energy: -354.844
Base-Backbone interact. energy: -3.166
local terms energy: -419.391578
where:
bonds (distance) C4'-P energy: -92.903
bonds (distance) P-C4' energy: -88.800
flat angles C4'-P-C4' energy: -86.710
flat angles P-C4'-P energy: -65.386
tors. eta vs tors. theta energy: -85.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -902.996681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.996681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.996681 (E_RNA)
where:
Base-Base interactions energy: -542.037
where: short stacking energy: -266.512
Base-Backbone interact. energy: 0.599
local terms energy: -361.558593
where:
bonds (distance) C4'-P energy: -80.806
bonds (distance) P-C4' energy: -95.367
flat angles C4'-P-C4' energy: -83.509
flat angles P-C4'-P energy: -55.781
tors. eta vs tors. theta energy: -46.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -733.440324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.440324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.440324 (E_RNA)
where:
Base-Base interactions energy: -387.943
where: short stacking energy: -225.820
Base-Backbone interact. energy: 0.507
local terms energy: -346.004368
where:
bonds (distance) C4'-P energy: -84.517
bonds (distance) P-C4' energy: -96.854
flat angles C4'-P-C4' energy: -75.700
flat angles P-C4'-P energy: -51.885
tors. eta vs tors. theta energy: -37.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -486.756072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.756072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.756072 (E_RNA)
where:
Base-Base interactions energy: -219.845
where: short stacking energy: -144.746
Base-Backbone interact. energy: -2.728
local terms energy: -264.183291
where:
bonds (distance) C4'-P energy: -94.006
bonds (distance) P-C4' energy: -95.708
flat angles C4'-P-C4' energy: -75.431
flat angles P-C4'-P energy: -23.405
tors. eta vs tors. theta energy: 24.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1949.816687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.816687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.816687 (E_RNA)
where:
Base-Base interactions energy: -1351.835
where: short stacking energy: -566.332
Base-Backbone interact. energy: 0.280
local terms energy: -598.261871
where:
bonds (distance) C4'-P energy: -119.125
bonds (distance) P-C4' energy: -110.125
flat angles C4'-P-C4' energy: -119.800
flat angles P-C4'-P energy: -79.058
tors. eta vs tors. theta energy: -170.154
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: 7
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1787.767296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.767296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.767296 (E_RNA)
where:
Base-Base interactions energy: -1222.486
where: short stacking energy: -521.490
Base-Backbone interact. energy: -0.751
local terms energy: -564.530020
where:
bonds (distance) C4'-P energy: -106.837
bonds (distance) P-C4' energy: -98.909
flat angles C4'-P-C4' energy: -113.201
flat angles P-C4'-P energy: -78.918
tors. eta vs tors. theta energy: -166.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -1744.519680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.519680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.519680 (E_RNA)
where:
Base-Base interactions energy: -1178.017
where: short stacking energy: -540.500
Base-Backbone interact. energy: -1.826
local terms energy: -564.676596
where:
bonds (distance) C4'-P energy: -103.814
bonds (distance) P-C4' energy: -93.646
flat angles C4'-P-C4' energy: -132.018
flat angles P-C4'-P energy: -75.868
tors. eta vs tors. theta energy: -159.331
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: 6
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -1547.075111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.075111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.075111 (E_RNA)
where:
Base-Base interactions energy: -1042.838
where: short stacking energy: -461.420
Base-Backbone interact. energy: 3.874
local terms energy: -508.111540
where:
bonds (distance) C4'-P energy: -76.766
bonds (distance) P-C4' energy: -109.830
flat angles C4'-P-C4' energy: -118.283
flat angles P-C4'-P energy: -70.626
tors. eta vs tors. theta energy: -132.606
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: 4
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -1496.331583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.331583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.331583 (E_RNA)
where:
Base-Base interactions energy: -1021.167
where: short stacking energy: -421.776
Base-Backbone interact. energy: 2.633
local terms energy: -477.796776
where:
bonds (distance) C4'-P energy: -98.001
bonds (distance) P-C4' energy: -98.782
flat angles C4'-P-C4' energy: -109.008
flat angles P-C4'-P energy: -65.413
tors. eta vs tors. theta energy: -106.593
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: 1
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -1376.717733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.717733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.717733 (E_RNA)
where:
Base-Base interactions energy: -909.321
where: short stacking energy: -406.381
Base-Backbone interact. energy: 1.826
local terms energy: -469.222114
where:
bonds (distance) C4'-P energy: -99.018
bonds (distance) P-C4' energy: -102.406
flat angles C4'-P-C4' energy: -115.712
flat angles P-C4'-P energy: -56.209
tors. eta vs tors. theta energy: -95.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -1165.888139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.888139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.888139 (E_RNA)
where:
Base-Base interactions energy: -751.074
where: short stacking energy: -324.615
Base-Backbone interact. energy: -2.206
local terms energy: -412.608343
where:
bonds (distance) C4'-P energy: -92.573
bonds (distance) P-C4' energy: -86.824
flat angles C4'-P-C4' energy: -100.286
flat angles P-C4'-P energy: -60.243
tors. eta vs tors. theta energy: -72.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -906.811863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.811863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.811863 (E_RNA)
where:
Base-Base interactions energy: -561.186
where: short stacking energy: -262.185
Base-Backbone interact. energy: -3.119
local terms energy: -342.506616
where:
bonds (distance) C4'-P energy: -70.058
bonds (distance) P-C4' energy: -93.571
flat angles C4'-P-C4' energy: -73.781
flat angles P-C4'-P energy: -65.725
tors. eta vs tors. theta energy: -39.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -735.066468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.066468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.066468 (E_RNA)
where:
Base-Base interactions energy: -419.176
where: short stacking energy: -222.058
Base-Backbone interact. energy: -0.155
local terms energy: -315.735241
where:
bonds (distance) C4'-P energy: -81.449
bonds (distance) P-C4' energy: -76.055
flat angles C4'-P-C4' energy: -92.661
flat angles P-C4'-P energy: -39.675
tors. eta vs tors. theta energy: -25.896
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: 498
Temperature: 1.350000
Total energy: -538.171519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.171519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.171519 (E_RNA)
where:
Base-Base interactions energy: -257.990
where: short stacking energy: -146.078
Base-Backbone interact. energy: 2.848
local terms energy: -283.029719
where:
bonds (distance) C4'-P energy: -85.038
bonds (distance) P-C4' energy: -116.670
flat angles C4'-P-C4' energy: -59.668
flat angles P-C4'-P energy: -20.665
tors. eta vs tors. theta energy: -0.989
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: 2
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1960.004070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.004070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.004070 (E_RNA)
where:
Base-Base interactions energy: -1350.187
where: short stacking energy: -563.683
Base-Backbone interact. energy: -2.762
local terms energy: -607.055247
where:
bonds (distance) C4'-P energy: -110.296
bonds (distance) P-C4' energy: -114.572
flat angles C4'-P-C4' energy: -117.290
flat angles P-C4'-P energy: -88.633
tors. eta vs tors. theta energy: -176.265
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: 2, replica: 5
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1763.877759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.877759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.877759 (E_RNA)
where:
Base-Base interactions energy: -1212.007
where: short stacking energy: -517.188
Base-Backbone interact. energy: -0.436
local terms energy: -551.434511
where:
bonds (distance) C4'-P energy: -101.664
bonds (distance) P-C4' energy: -101.290
flat angles C4'-P-C4' energy: -126.119
flat angles P-C4'-P energy: -76.897
tors. eta vs tors. theta energy: -145.465
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: 7
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -1717.395477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.395477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.395477 (E_RNA)
where:
Base-Base interactions energy: -1177.396
where: short stacking energy: -491.273
Base-Backbone interact. energy: -3.529
local terms energy: -536.470828
where:
bonds (distance) C4'-P energy: -86.624
bonds (distance) P-C4' energy: -101.796
flat angles C4'-P-C4' energy: -119.249
flat angles P-C4'-P energy: -79.754
tors. eta vs tors. theta energy: -149.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -1561.568706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.568706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.568706 (E_RNA)
where:
Base-Base interactions energy: -1044.225
where: short stacking energy: -455.730
Base-Backbone interact. energy: -3.166
local terms energy: -514.177768
where:
bonds (distance) C4'-P energy: -81.773
bonds (distance) P-C4' energy: -98.155
flat angles C4'-P-C4' energy: -123.085
flat angles P-C4'-P energy: -79.770
tors. eta vs tors. theta energy: -131.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -1468.913515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.913515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.913515 (E_RNA)
where:
Base-Base interactions energy: -968.298
where: short stacking energy: -436.921
Base-Backbone interact. energy: -0.102
local terms energy: -500.513134
where:
bonds (distance) C4'-P energy: -103.423
bonds (distance) P-C4' energy: -98.553
flat angles C4'-P-C4' energy: -113.185
flat angles P-C4'-P energy: -71.611
tors. eta vs tors. theta energy: -113.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -1413.070207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.070207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.070207 (E_RNA)
where:
Base-Base interactions energy: -928.787
where: short stacking energy: -404.400
Base-Backbone interact. energy: 3.278
local terms energy: -487.560940
where:
bonds (distance) C4'-P energy: -100.131
bonds (distance) P-C4' energy: -106.795
flat angles C4'-P-C4' energy: -104.481
flat angles P-C4'-P energy: -70.881
tors. eta vs tors. theta energy: -105.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -1251.749826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.749826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.749826 (E_RNA)
where:
Base-Base interactions energy: -830.973
where: short stacking energy: -354.184
Base-Backbone interact. energy: -3.748
local terms energy: -417.029263
where:
bonds (distance) C4'-P energy: -97.702
bonds (distance) P-C4' energy: -83.484
flat angles C4'-P-C4' energy: -88.947
flat angles P-C4'-P energy: -63.409
tors. eta vs tors. theta energy: -83.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -935.543845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.543845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.543845 (E_RNA)
where:
Base-Base interactions energy: -580.969
where: short stacking energy: -266.243
Base-Backbone interact. energy: 0.195
local terms energy: -354.770122
where:
bonds (distance) C4'-P energy: -81.280
bonds (distance) P-C4' energy: -98.145
flat angles C4'-P-C4' energy: -84.214
flat angles P-C4'-P energy: -49.010
tors. eta vs tors. theta energy: -42.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -758.403349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.403349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.403349 (E_RNA)
where:
Base-Base interactions energy: -433.095
where: short stacking energy: -207.480
Base-Backbone interact. energy: 0.542
local terms energy: -325.849964
where:
bonds (distance) C4'-P energy: -88.414
bonds (distance) P-C4' energy: -70.924
flat angles C4'-P-C4' energy: -93.210
flat angles P-C4'-P energy: -51.413
tors. eta vs tors. theta energy: -21.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -567.936563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.936563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.936563 (E_RNA)
where:
Base-Base interactions energy: -277.946
where: short stacking energy: -180.771
Base-Backbone interact. energy: 2.929
local terms energy: -292.919193
where:
bonds (distance) C4'-P energy: -89.110
bonds (distance) P-C4' energy: -84.792
flat angles C4'-P-C4' energy: -82.819
flat angles P-C4'-P energy: -49.234
tors. eta vs tors. theta energy: 13.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/Denv3_dominio1-4dff34bd_01
DONE
DONE
DONE
DONE
DONE
DONE